2-hydroxy-1,5-diphenylpentane-1,5-dione

C17H16O3 — CID 14316875

IUPAC2-hydroxy-1,5-diphenylpentane-1,5-dione
SMILESO=C(CCC(O)C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H16O3/c18-15(13-7-3-1-4-8-13)11-12-16(19)17(20)14-9-5-2-6-10-14/h1-10,16,19H,11-12H2
InChIKeyCEKHFDSQJYQGRL-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.89
Rot. Bonds6

About 2-hydroxy-1,5-diphenylpentane-1,5-dione

2-hydroxy-1,5-diphenylpentane-1,5-dione (PubChem CID 14316875) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-hydroxy-1,5-diphenylpentane-1,5-dione.

Molecular Properties

Compound Name2-hydroxy-1,5-diphenylpentane-1,5-dione
PubChem CID14316875
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name2-hydroxy-1,5-diphenylpentane-1,5-dione
SMILESO=C(CCC(O)C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H16O3/c18-15(13-7-3-1-4-8-13)11-12-16(19)17(20)14-9-5-2-6-10-14/h1-10,16,19H,11-12H2
InChIKeyCEKHFDSQJYQGRL-UHFFFAOYSA-N
XLogP2.89
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-hydroxy-1-phenylhexane-1,5-dione
CID 125485700
5-hydroxy-6-oxo-6-phenylhexanoic acid
CID 151820030
4-amino-2-hydroxy-1-phenylbutan-1-one
CID 57182499
4-amino-1,4-diphenylbutan-1-one
CID 116570833
2-methyl-5-oxo-5-phenylpentanoic acid
CID 13462808
4-chloro-1-phenylpentan-1-one
CID 14472970
2-hydroxy-1-phenyltetradecan-1-one
CID 54171009
4-oxo-4-phenylbutanoyl chloride
CID 10932389
4-hydroxy-4-(4-methylphenyl)-1-phenylbutan-1-one
CID 132535803
1,15-diphenylpentadecane-1,15-dione
CID 159981687
2,3-dihydroxy-1-phenylpropan-1-one;terephthalic acid
CID 160588894
5-hydroxy-1-phenylhexane-1,4-dione
CID 102259650

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1,5-diphenylpentane-1,5-dione?
The IUPAC name of 2-hydroxy-1,5-diphenylpentane-1,5-dione (CID 14316875) is 2-hydroxy-1,5-diphenylpentane-1,5-dione.
What is the SMILES notation for 2-hydroxy-1,5-diphenylpentane-1,5-dione?
The canonical SMILES for 2-hydroxy-1,5-diphenylpentane-1,5-dione is O=C(CCC(O)C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-hydroxy-1,5-diphenylpentane-1,5-dione?
The InChIKey is CEKHFDSQJYQGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c18-15(13-7-3-1-4-8-13)11-12-16(19)17(20)14-9-5-2-6-10-14/h1-10,16,19H,11-12H2.
What are the key properties of 2-hydroxy-1,5-diphenylpentane-1,5-dione?
2-hydroxy-1,5-diphenylpentane-1,5-dione has a molecular weight of 268.31 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1,5-diphenylpentane-1,5-dione is sourced from PubChem (CID 14316875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).