Mrv1652304272019022D 10 10 0 0 0 0 999 V2000 -0.8250 2.8580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 2.1435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 7 2 0 0 0 0 5 8 2 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 M END > <DATABASE_ID> CDB005846 > <DATABASE_NAME> CDB > <SMILES> COCC1=CC=CC=C1O > <INCHI_IDENTIFIER> InChI=1S/C8H10O2/c1-10-6-7-4-2-3-5-8(7)9/h2-5,9H,6H2,1H3 > <INCHI_KEY> SSICPQZWCDZSQA-UHFFFAOYSA-N > <FORMULA> C8H10O2 > <MOLECULAR_WEIGHT> 138.166 > <EXACT_MASS> 138.068079562 > <JCHEM_ACCEPTOR_COUNT> 2 > <JCHEM_ATOM_COUNT> 20 > <JCHEM_AVERAGE_POLARIZABILITY> 14.839275128765422 > <JCHEM_BIOAVAILABILITY> 1 > <JCHEM_DONOR_COUNT> 1 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> 2-(methoxymethyl)phenol > <ALOGPS_LOGP> 1.21 > <JCHEM_LOGP> 1.5454572306666665 > <ALOGPS_LOGS> -0.94 > <JCHEM_MDDR_LIKE_RULE> 0 > <JCHEM_NUMBER_OF_RINGS> 1 > <JCHEM_PHYSIOLOGICAL_CHARGE> 0 > <JCHEM_PKA_STRONGEST_ACIDIC> 9.11830717197033 > <JCHEM_PKA_STRONGEST_BASIC> -4.132995107642375 > <JCHEM_POLAR_SURFACE_AREA> 29.46 > <JCHEM_REFRACTIVITY> 39.606 > <JCHEM_ROTATABLE_BOND_COUNT> 2 > <JCHEM_RULE_OF_FIVE> 1 > <ALOGPS_SOLUBILITY> 1.59e+01 g/l > <JCHEM_TRADITIONAL_IUPAC> 2-(methoxymethyl)phenol > <JCHEM_VEBER_RULE> 1 > <Cannabis Database ID> CDB005846 > <GENERIC_NAME> Methoxymethylphenold $$$$