Metabolite Diphenylmethoxyacetic acid

Name
Diphenylmethoxyacetic acid
Description
Not Available
Structure
Synonyms
Not Available
UNII
5EX98UAT82
CAS number
Not Available
Weight
Average: 242.2699
Monoisotopic: 242.094294314
Chemical Formula
C15H14O3
InChI Key
KWGQOJWITMQEOT-UHFFFAOYSA-N
InChI
InChI=1S/C15H14O3/c16-14(17)11-18-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H,16,17)
IUPAC Name
2-(diphenylmethoxy)acetic acid
SMILES
OC(=O)COC(C1=CC=CC=C1)C1=CC=CC=C1
Reactions
ChemSpider
519424
ZINC
ZINC000000378097
Predicted Properties
PropertyValueSource
Water Solubility0.0648 mg/mLALOGPS
logP2.29ALOGPS
logP3.11Chemaxon
logS-3.6ALOGPS
pKa (Strongest Acidic)4.05Chemaxon
pKa (Strongest Basic)-4.3Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area46.53 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity67.99 m3·mol-1Chemaxon
Polarizability25.54 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon