2,2-dihydroxy-1-(4-phenylphenyl)ethanone

C14H12O3 — CID 14364

IUPAC2,2-dihydroxy-1-(4-phenylphenyl)ethanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)C(O)O
InChIInChI=1S/C14H12O3/c15-13(14(16)17)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,14,16-17H
InChIKeyDNYMAUICCMLWCF-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.85
Rot. Bonds3

About 2,2-dihydroxy-1-(4-phenylphenyl)ethanone

2,2-dihydroxy-1-(4-phenylphenyl)ethanone (PubChem CID 14364) has the molecular formula C14H12O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2,2-dihydroxy-1-(4-phenylphenyl)ethanone.

Molecular Properties

Compound Name2,2-dihydroxy-1-(4-phenylphenyl)ethanone
PubChem CID14364
Molecular FormulaC14H12O3
Molecular Weight228.25 g/mol
Exact Mass228.08
IUPAC Name2,2-dihydroxy-1-(4-phenylphenyl)ethanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)C(O)O
InChIInChI=1S/C14H12O3/c15-13(14(16)17)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,14,16-17H
InChIKeyDNYMAUICCMLWCF-UHFFFAOYSA-N
XLogP1.85
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Benzoin
CID 8400
Fenbufen
CID 3335
2-Hydroxy-2-methyl-1-phenylpropan-1-one
CID 81984
alpha-Hydroxyacetophenone
CID 68490
1-Hydroxycyclohexyl phenyl ketone
CID 70355
Ethanone, 1-phenyl-, dihydroxy deriv.
CID 99611
(3-Benzoylphenyl)acetic acid
CID 30931
2-Hydroxy-1-phenyl-1-propanone
CID 101121
(1,1'-Biphenyl)-4-butanoic acid, alpha,gamma-dioxo-
CID 55396
4-Methylbenzoylformic acid
CID 151451
2-Hydroxy-1-(4-phenylphenyl)ethan-1-one
CID 344659
2-Hydroxy-1,2-diphenyl-1-propanone
CID 344693

Frequently Asked Questions

What is the IUPAC name of 2,2-dihydroxy-1-(4-phenylphenyl)ethanone?
The IUPAC name of 2,2-dihydroxy-1-(4-phenylphenyl)ethanone (CID 14364) is 2,2-dihydroxy-1-(4-phenylphenyl)ethanone.
What is the SMILES notation for 2,2-dihydroxy-1-(4-phenylphenyl)ethanone?
The canonical SMILES for 2,2-dihydroxy-1-(4-phenylphenyl)ethanone is O=C(c1ccc(-c2ccccc2)cc1)C(O)O.
What is the InChIKey of 2,2-dihydroxy-1-(4-phenylphenyl)ethanone?
The InChIKey is DNYMAUICCMLWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3/c15-13(14(16)17)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,14,16-17H.
What are the key properties of 2,2-dihydroxy-1-(4-phenylphenyl)ethanone?
2,2-dihydroxy-1-(4-phenylphenyl)ethanone has a molecular weight of 228.25 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dihydroxy-1-(4-phenylphenyl)ethanone is sourced from PubChem (CID 14364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).