Mrv1572004221607012D          

 15 16  0  0  0  0            999 V2000
    4.6993    6.0132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559    3.1257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9849    3.1257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559    2.3007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9849    2.3007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704    4.3632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9849    4.7757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9849    0.6507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3974   -0.8888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704    3.5382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704    1.8882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9849   -0.1743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9849    5.6007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704    1.0632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.8888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  7  6  1  0  0  0  0
 10  2  2  0  0  0  0
 10  3  1  0  0  0  0
 10  6  1  0  0  0  0
 11  4  2  0  0  0  0
 11  5  1  0  0  0  0
 12  8  1  0  0  0  0
 12  9  1  0  0  0  0
 13  1  1  0  0  0  0
 13  7  1  0  0  0  0
 14  8  1  0  0  0  0
 14 11  1  0  0  0  0
 15  9  1  0  0  0  0
 15 12  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM020774

> <DATABASE_NAME>
chemdb

> <SMILES>
COCCC1=CC=C(OCC2CO2)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C12H16O3/c1-13-7-6-10-2-4-11(5-3-10)14-8-12-9-15-12/h2-5,12H,6-9H2,1H3

> <INCHI_KEY>
UEOWFGJMGUIGHC-UHFFFAOYSA-N

> <FORMULA>
C12H16O3

> <MOLECULAR_WEIGHT>
208.257

> <EXACT_MASS>
208.109944375

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
31

> <JCHEM_AVERAGE_POLARIZABILITY>
23.444782384427544

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-{[4-(2-methoxyethyl)phenoxy]methyl}oxirane

> <ALOGPS_LOGP>
1.86

> <JCHEM_LOGP>
1.82127911

> <ALOGPS_LOGS>
-3.55

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-3.8046900538937956

> <JCHEM_POLAR_SURFACE_AREA>
30.990000000000002

> <JCHEM_REFRACTIVITY>
57.588000000000015

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.82e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-[4-(2-methoxyethyl)phenoxymethyl]oxirane

> <JCHEM_VEBER_RULE>
1

> <NAME>
2,3-Epoxypropyl 4-(2-methoxyethyl)phenyl ether

> <CAS>
56718-70-8

> <SYNONYMS>
[[p-(2-methoxyethyl)phenoxy]methyl]oxirane

$$$$