(2S,3S)-2-hydroxy-3-methyl-1,5-diphenylpentane-1,5-dione

C18H18O3 — CID 10802844

IUPAC(2S,3S)-2-hydroxy-3-methyl-1,5-diphenylpentane-1,5-dione
SMILESC[C@@H](CC(=O)c1ccccc1)[C@H](O)C(=O)c1ccccc1
InChIInChI=1S/C18H18O3/c1-13(12-16(19)14-8-4-2-5-9-14)17(20)18(21)15-10-6-3-7-11-15/h2-11,13,17,20H,12H2,1H3/t13-,17-/m0/s1
InChIKeyUVZVCGRQWREMLC-GUYCJALGSA-N
MW282.34 g/mol
LogP3.14
Rot. Bonds6

About (2S,3S)-2-hydroxy-3-methyl-1,5-diphenylpentane-1,5-dione

(2S,3S)-2-hydroxy-3-methyl-1,5-diphenylpentane-1,5-dione (PubChem CID 10802844) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is (2S,3S)-2-hydroxy-3-methyl-1,5-diphenylpentane-1,5-dione.

Molecular Properties

Compound Name(2S,3S)-2-hydroxy-3-methyl-1,5-diphenylpentane-1,5-dione
PubChem CID10802844
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name(2S,3S)-2-hydroxy-3-methyl-1,5-diphenylpentane-1,5-dione
SMILESC[C@@H](CC(=O)c1ccccc1)[C@H](O)C(=O)c1ccccc1
InChIInChI=1S/C18H18O3/c1-13(12-16(19)14-8-4-2-5-9-14)17(20)18(21)15-10-6-3-7-11-15/h2-11,13,17,20H,12H2,1H3/t13-,17-/m0/s1
InChIKeyUVZVCGRQWREMLC-GUYCJALGSA-N
XLogP3.14
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S,3S)-2-hydroxy-3-methyl-1,5-diphenylpentane-1,5-dione 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

(2R,3R)-2-hydroxy-3-methyl-1-phenylpentan-1-one
CID 129384215
3,4-dimethyl-1-phenylpentan-1-one
CID 24976524
(3R)-3-hydroxy-1-phenylbutan-1-one
CID 5324981
(2R,3R)-2,3-dihydroxy-4-methyl-1-phenylpentan-1-one
CID 134995688
4-chloro-3-hydroxy-1-phenylpentan-1-one
CID 15327489
3-phenacyl-1,5-diphenylpentane-1,5-dione
CID 10547136
2,6-dimethylheptan-4-one;3-methyl-1-phenylbutan-1-one
CID 174883238
(2R,3S)-2-hydroxy-3-methyl-1-phenylpent-4-en-1-one
CID 11735641
2-methoxy-1,4-diphenylbutane-1,4-dione
CID 11459858
4-(4-bromophenyl)-2-methyl-1-phenylbutane-1,4-dione
CID 173018498
(3R,5S)-3,5-dihydroxy-1,7-diphenylheptane-1,7-dione
CID 57327357
2-hydroxy-1,2-diphenylethanone;1-phenylpropan-1-one
CID 174848942

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-hydroxy-3-methyl-1,5-diphenylpentane-1,5-dione?
The IUPAC name of (2S,3S)-2-hydroxy-3-methyl-1,5-diphenylpentane-1,5-dione (CID 10802844) is (2S,3S)-2-hydroxy-3-methyl-1,5-diphenylpentane-1,5-dione.
What is the SMILES notation for (2S,3S)-2-hydroxy-3-methyl-1,5-diphenylpentane-1,5-dione?
The canonical SMILES for (2S,3S)-2-hydroxy-3-methyl-1,5-diphenylpentane-1,5-dione is C[C@@H](CC(=O)c1ccccc1)[C@H](O)C(=O)c1ccccc1.
What is the InChIKey of (2S,3S)-2-hydroxy-3-methyl-1,5-diphenylpentane-1,5-dione?
The InChIKey is UVZVCGRQWREMLC-GUYCJALGSA-N. The full InChI is InChI=1S/C18H18O3/c1-13(12-16(19)14-8-4-2-5-9-14)17(20)18(21)15-10-6-3-7-11-15/h2-11,13,17,20H,12H2,1H3/t13-,17-/m0/s1.
What are the key properties of (2S,3S)-2-hydroxy-3-methyl-1,5-diphenylpentane-1,5-dione?
(2S,3S)-2-hydroxy-3-methyl-1,5-diphenylpentane-1,5-dione has a molecular weight of 282.34 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-hydroxy-3-methyl-1,5-diphenylpentane-1,5-dione is sourced from PubChem (CID 10802844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).