2-benzhydryloxyacetic acid

C15H14O3 — CID 597513

IUPAC2-benzhydryloxyacetic acid
SMILESO=C(O)COC(c1ccccc1)c1ccccc1
InChIInChI=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)
InChIKeyKWGQOJWITMQEOT-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.88
Rot. Bonds5

About 2-benzhydryloxyacetic acid

2-benzhydryloxyacetic acid (PubChem CID 597513) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-benzhydryloxyacetic acid.

Molecular Properties

Compound Name2-benzhydryloxyacetic acid
PubChem CID597513
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name2-benzhydryloxyacetic acid
SMILESO=C(O)COC(c1ccccc1)c1ccccc1
InChIInChI=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)
InChIKeyKWGQOJWITMQEOT-UHFFFAOYSA-N
XLogP2.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-benzhydryloxyacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-benzhydryloxyacetic acid?
The IUPAC name of 2-benzhydryloxyacetic acid (CID 597513) is 2-benzhydryloxyacetic acid.
What is the SMILES notation for 2-benzhydryloxyacetic acid?
The canonical SMILES for 2-benzhydryloxyacetic acid is O=C(O)COC(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-benzhydryloxyacetic acid?
The InChIKey is KWGQOJWITMQEOT-UHFFFAOYSA-N. The full InChI is 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).
What are the key properties of 2-benzhydryloxyacetic acid?
2-benzhydryloxyacetic acid has a molecular weight of 242.27 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryloxyacetic acid is sourced from PubChem (CID 597513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).