2-(2-hydroxy-2,2-diphenylacetyl)benzoic acid

C21H16O4 — CID 174743902

IUPAC2-(2-hydroxy-2,2-diphenylacetyl)benzoic acid
SMILESO=C(O)c1ccccc1C(=O)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H16O4/c22-19(17-13-7-8-14-18(17)20(23)24)21(25,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,25H,(H,23,24)
InChIKeyQZOMTCQNDDZPAE-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.50
Rot. Bonds5

About 2-(2-hydroxy-2,2-diphenylacetyl)benzoic acid

2-(2-hydroxy-2,2-diphenylacetyl)benzoic acid (PubChem CID 174743902) has the molecular formula C21H16O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-(2-hydroxy-2,2-diphenylacetyl)benzoic acid.

Molecular Properties

Compound Name2-(2-hydroxy-2,2-diphenylacetyl)benzoic acid
PubChem CID174743902
Molecular FormulaC21H16O4
Molecular Weight332.36 g/mol
Exact Mass332.10
IUPAC Name2-(2-hydroxy-2,2-diphenylacetyl)benzoic acid
SMILESO=C(O)c1ccccc1C(=O)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H16O4/c22-19(17-13-7-8-14-18(17)20(23)24)21(25,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,25H,(H,23,24)
InChIKeyQZOMTCQNDDZPAE-UHFFFAOYSA-N
XLogP3.50
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 173000011
bis(oxygen(2-));phthalic acid;titanium(4+)
CID 161084506
hydride;phthalic acid;rubidium(1+)
CID 173256629
magnesium;hydride;phthalic acid
CID 173000994
dilithium;hydride;phthalic acid
CID 173011412
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CID 174433443
azane;phthalic acid;hydrochloride
CID 175440203
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CID 174659618
magnesium;phthalic acid;dichloride
CID 22501626

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-2,2-diphenylacetyl)benzoic acid?
The IUPAC name of 2-(2-hydroxy-2,2-diphenylacetyl)benzoic acid (CID 174743902) is 2-(2-hydroxy-2,2-diphenylacetyl)benzoic acid.
What is the SMILES notation for 2-(2-hydroxy-2,2-diphenylacetyl)benzoic acid?
The canonical SMILES for 2-(2-hydroxy-2,2-diphenylacetyl)benzoic acid is O=C(O)c1ccccc1C(=O)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(2-hydroxy-2,2-diphenylacetyl)benzoic acid?
The InChIKey is QZOMTCQNDDZPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O4/c22-19(17-13-7-8-14-18(17)20(23)24)21(25,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,25H,(H,23,24).
What are the key properties of 2-(2-hydroxy-2,2-diphenylacetyl)benzoic acid?
2-(2-hydroxy-2,2-diphenylacetyl)benzoic acid has a molecular weight of 332.36 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-2,2-diphenylacetyl)benzoic acid is sourced from PubChem (CID 174743902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).