Diphenylacetic Acid

C14H12O2 — CID 8333

IUPAC2,2-diphenylacetic acid
SMILESC1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)O
InChIInChI=1S/C14H12O2/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H,15,16)
InChIKeyPYHXGXCGESYPCW-UHFFFAOYSA-N
MW212.24 g/mol
LogP3.10
Rot. Bonds3

About Diphenylacetic Acid

Diphenylacetic Acid (PubChem CID 8333) has the molecular formula C14H12O2 and a molecular weight of 212.24 g/mol. Its IUPAC name is 2,2-diphenylacetic acid.

Molecular Properties

Compound NameDiphenylacetic Acid
PubChem CID8333
Molecular FormulaC14H12O2
Molecular Weight212.24 g/mol
Exact Mass212.08
IUPAC Name2,2-diphenylacetic acid
SMILESC1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)O
InChIInChI=1S/C14H12O2/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H,15,16)
InChIKeyPYHXGXCGESYPCW-UHFFFAOYSA-N
XLogP3.10
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity207

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Phenylacetic Acid
CID 999
Ibuprofen, (+-)-
CID 3672
Phenylpyruvic acid
CID 997
Ketoprofen
CID 3825
4-Phenylbutyric Acid
CID 4775
1-Naphthaleneacetic Acid
CID 6862
Benzenepropanoic acid
CID 107
Felbinac
CID 3332
Flurbiprofen
CID 3394
Dexibuprofen
CID 39912
2-Phenylpropionic acid
CID 10296
Esflurbiprofen
CID 72099

Frequently Asked Questions

What is the IUPAC name of Diphenylacetic Acid?
The IUPAC name of Diphenylacetic Acid (CID 8333) is 2,2-diphenylacetic acid.
What is the SMILES notation for Diphenylacetic Acid?
The canonical SMILES for Diphenylacetic Acid is C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)O.
What is the InChIKey of Diphenylacetic Acid?
The InChIKey is PYHXGXCGESYPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H,15,16).
What are the key properties of Diphenylacetic Acid?
Diphenylacetic Acid has a molecular weight of 212.24 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Diphenylacetic Acid is sourced from PubChem (CID 8333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).