2,2-diphenylacetic acid

C14H12O2 — CID 8333

IUPAC2,2-diphenylacetic acid
SMILESO=C(O)C(c1ccccc1)c1ccccc1
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
MW212.25 g/mol
LogP2.90
Rot. Bonds3

About 2,2-diphenylacetic acid

2,2-diphenylacetic acid (PubChem CID 8333) has the molecular formula C14H12O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2,2-diphenylacetic acid.

Molecular Properties

Compound Name2,2-diphenylacetic acid
PubChem CID8333
Molecular FormulaC14H12O2
Molecular Weight212.25 g/mol
Exact Mass212.08
IUPAC Name2,2-diphenylacetic acid
SMILESO=C(O)C(c1ccccc1)c1ccccc1
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
XLogP2.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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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 2,2-diphenylacetic acid?
The IUPAC name of 2,2-diphenylacetic acid (CID 8333) is 2,2-diphenylacetic acid.
What is the SMILES notation for 2,2-diphenylacetic acid?
The canonical SMILES for 2,2-diphenylacetic acid is O=C(O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2-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 2,2-diphenylacetic acid?
2,2-diphenylacetic acid has a molecular weight of 212.25 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenylacetic acid is sourced from PubChem (CID 8333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).