2,4,4-trihydroxy-1-(2-phenylphenyl)butan-1-one

C16H16O4 — CID 141279950

IUPAC2,4,4-trihydroxy-1-(2-phenylphenyl)butan-1-one
SMILESO=C(c1ccccc1-c1ccccc1)C(O)CC(O)O
InChIInChI=1S/C16H16O4/c17-14(10-15(18)19)16(20)13-9-5-4-8-12(13)11-6-2-1-3-7-11/h1-9,14-15,17-19H,10H2
InChIKeyNPTVGGIZHOESHU-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.60
Rot. Bonds5

About 2,4,4-trihydroxy-1-(2-phenylphenyl)butan-1-one

2,4,4-trihydroxy-1-(2-phenylphenyl)butan-1-one (PubChem CID 141279950) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2,4,4-trihydroxy-1-(2-phenylphenyl)butan-1-one.

Molecular Properties

Compound Name2,4,4-trihydroxy-1-(2-phenylphenyl)butan-1-one
PubChem CID141279950
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name2,4,4-trihydroxy-1-(2-phenylphenyl)butan-1-one
SMILESO=C(c1ccccc1-c1ccccc1)C(O)CC(O)O
InChIInChI=1S/C16H16O4/c17-14(10-15(18)19)16(20)13-9-5-4-8-12(13)11-6-2-1-3-7-11/h1-9,14-15,17-19H,10H2
InChIKeyNPTVGGIZHOESHU-UHFFFAOYSA-N
XLogP1.60
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,4,4-trihydroxy-1-(2-phenylphenyl)butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-oxo-2-(2-phenylphenyl)acetyl chloride
CID 87185845
acetylene;2-phenylbenzoic acid
CID 67726329
(2-phenylphenyl)-pyrrol-1-ylmethanone
CID 166440403
2-methyl-4-oxo-4-(2-phenylphenyl)butanoic acid
CID 70461221
[4-(1-hydroxyethyl)piperidin-1-yl]-(2-phenylphenyl)methanone
CID 111429801
2-(2-methylpropoxy)-2-phenyl-1-(2-phenylphenyl)ethanone
CID 141289479
2,4-dioxo-4-(2-phenylphenyl)butanoic acid
CID 23623031
2-hydroxy-3-(2-phenylphenyl)propanoic acid
CID 150667818
2-[2-(2-phenylphenyl)phenyl]benzoic acid
CID 141238749
2-[[1,3-dioxo-1-(2-phenylphenyl)butan-2-yl]amino]-3-sulfanylpropanoic acid
CID 141263868
phenyl-[2-(2-phenylbenzoyl)phenyl]methanone
CID 141429590
2,3-dihydroxy-1-(2-hydroxyphenyl)propan-1-one;hydrate
CID 140998893

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trihydroxy-1-(2-phenylphenyl)butan-1-one?
The IUPAC name of 2,4,4-trihydroxy-1-(2-phenylphenyl)butan-1-one (CID 141279950) is 2,4,4-trihydroxy-1-(2-phenylphenyl)butan-1-one.
What is the SMILES notation for 2,4,4-trihydroxy-1-(2-phenylphenyl)butan-1-one?
The canonical SMILES for 2,4,4-trihydroxy-1-(2-phenylphenyl)butan-1-one is O=C(c1ccccc1-c1ccccc1)C(O)CC(O)O.
What is the InChIKey of 2,4,4-trihydroxy-1-(2-phenylphenyl)butan-1-one?
The InChIKey is NPTVGGIZHOESHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c17-14(10-15(18)19)16(20)13-9-5-4-8-12(13)11-6-2-1-3-7-11/h1-9,14-15,17-19H,10H2.
What are the key properties of 2,4,4-trihydroxy-1-(2-phenylphenyl)butan-1-one?
2,4,4-trihydroxy-1-(2-phenylphenyl)butan-1-one has a molecular weight of 272.30 g/mol, XLogP of 1.60, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trihydroxy-1-(2-phenylphenyl)butan-1-one is sourced from PubChem (CID 141279950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).