4-hydroxy-2-methyl-1,2-diphenylpentan-3-one

C18H20O2 — CID 174770449

IUPAC4-hydroxy-2-methyl-1,2-diphenylpentan-3-one
SMILESCC(O)C(=O)C(C)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H20O2/c1-14(19)17(20)18(2,16-11-7-4-8-12-16)13-15-9-5-3-6-10-15/h3-12,14,19H,13H2,1-2H3
InChIKeyJGSRQTZVOJBQLR-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.14
Rot. Bonds5

About 4-hydroxy-2-methyl-1,2-diphenylpentan-3-one

4-hydroxy-2-methyl-1,2-diphenylpentan-3-one (PubChem CID 174770449) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-1,2-diphenylpentan-3-one.

Molecular Properties

Compound Name4-hydroxy-2-methyl-1,2-diphenylpentan-3-one
PubChem CID174770449
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name4-hydroxy-2-methyl-1,2-diphenylpentan-3-one
SMILESCC(O)C(=O)C(C)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H20O2/c1-14(19)17(20)18(2,16-11-7-4-8-12-16)13-15-9-5-3-6-10-15/h3-12,14,19H,13H2,1-2H3
InChIKeyJGSRQTZVOJBQLR-UHFFFAOYSA-N
XLogP3.14
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2,3-diphenyl-N-propan-2-ylpropanamide
CID 110299373
(2S,3R)-3-benzyl-4,4-dimethylpentane-2,3-diol
CID 10922116
4,4-dichloro-2,2-dimethyl-1-phenylpentan-3-one
CID 15444576
2-hydroperoxy-4-methyl-1,2-diphenylpentan-3-one
CID 71443265
2-methyl-2,3-diphenyl-N-(2-pyrrolidin-1-ylpropyl)propanamide
CID 110301638
N-[2-[(2-methyl-2,3-diphenylpropanoyl)amino]ethyl]benzamide
CID 110309440
2-methyl-2-naphthalen-2-yl-3-phenylpropanoyl chloride
CID 117048269
2-(4-cyanophenyl)-2-methyl-3-phenylpropanoic acid
CID 117048107
2-methyl-N-(2-methylsulfonylethyl)-2,3-diphenylpropanamide
CID 110357212
3-[(2,2-dimethyl-3-phenylpropanoyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120701031
2-amino-1-phenylbutane-2,3-diol
CID 175388454
propan-2-yl 2-hydroxy-2,3-diphenylpropanoate
CID 68875154

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methyl-1,2-diphenylpentan-3-one?
The IUPAC name of 4-hydroxy-2-methyl-1,2-diphenylpentan-3-one (CID 174770449) is 4-hydroxy-2-methyl-1,2-diphenylpentan-3-one.
What is the SMILES notation for 4-hydroxy-2-methyl-1,2-diphenylpentan-3-one?
The canonical SMILES for 4-hydroxy-2-methyl-1,2-diphenylpentan-3-one is CC(O)C(=O)C(C)(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 4-hydroxy-2-methyl-1,2-diphenylpentan-3-one?
The InChIKey is JGSRQTZVOJBQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-14(19)17(20)18(2,16-11-7-4-8-12-16)13-15-9-5-3-6-10-15/h3-12,14,19H,13H2,1-2H3.
What are the key properties of 4-hydroxy-2-methyl-1,2-diphenylpentan-3-one?
4-hydroxy-2-methyl-1,2-diphenylpentan-3-one has a molecular weight of 268.36 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methyl-1,2-diphenylpentan-3-one is sourced from PubChem (CID 174770449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).