2,3-diphenylpropanoic acid

C15H14O2 — CID 18744

IUPAC2,3-diphenylpropanoic acid
SMILESO=C(O)C(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C15H14O2/c16-15(17)14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,16,17)
InChIKeyPCRICPYPVZKEBZ-UHFFFAOYSA-N
MW226.28 g/mol
LogP3.10
Rot. Bonds4

About 2,3-diphenylpropanoic acid

2,3-diphenylpropanoic acid (PubChem CID 18744) has the molecular formula C15H14O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2,3-diphenylpropanoic acid.

Molecular Properties

Compound Name2,3-diphenylpropanoic acid
PubChem CID18744
Molecular FormulaC15H14O2
Molecular Weight226.28 g/mol
Exact Mass226.10
IUPAC Name2,3-diphenylpropanoic acid
SMILESO=C(O)C(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C15H14O2/c16-15(17)14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,16,17)
InChIKeyPCRICPYPVZKEBZ-UHFFFAOYSA-N
XLogP3.10
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-diphenylpropanoic acid?
The IUPAC name of 2,3-diphenylpropanoic acid (CID 18744) is 2,3-diphenylpropanoic acid.
What is the SMILES notation for 2,3-diphenylpropanoic acid?
The canonical SMILES for 2,3-diphenylpropanoic acid is O=C(O)C(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 2,3-diphenylpropanoic acid?
The InChIKey is PCRICPYPVZKEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2/c16-15(17)14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,16,17).
What are the key properties of 2,3-diphenylpropanoic acid?
2,3-diphenylpropanoic acid has a molecular weight of 226.28 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenylpropanoic acid is sourced from PubChem (CID 18744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).