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

C18H20O3 — CID 14433421

IUPAC2,3-dihydroxy-4-methyl-1,2-diphenylpentan-1-one
SMILESCC(C)C(O)C(O)(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20O3/c1-13(2)16(19)18(21,15-11-7-4-8-12-15)17(20)14-9-5-3-6-10-14/h3-13,16,19,21H,1-2H3
InChIKeyBIBNNFXFEQYAFI-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.77
Rot. Bonds5

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

2,3-dihydroxy-4-methyl-1,2-diphenylpentan-1-one (PubChem CID 14433421) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2,3-dihydroxy-4-methyl-1,2-diphenylpentan-1-one.

Molecular Properties

Compound Name2,3-dihydroxy-4-methyl-1,2-diphenylpentan-1-one
PubChem CID14433421
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name2,3-dihydroxy-4-methyl-1,2-diphenylpentan-1-one
SMILESCC(C)C(O)C(O)(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20O3/c1-13(2)16(19)18(21,15-11-7-4-8-12-15)17(20)14-9-5-3-6-10-14/h3-13,16,19,21H,1-2H3
InChIKeyBIBNNFXFEQYAFI-UHFFFAOYSA-N
XLogP2.77
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,3-dihydroxy-4-methyl-1,2-diphenylpentan-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

2,2-difluoro-3-hydroxy-4-methyl-1-phenylpentan-1-one
CID 10513528
(3-hydroxy-2-methyl-4-oxo-3,4-diphenylbutyl)-triphenylphosphanium
CID 6332817
3-hydroxy-2,4,4-trimethyl-1-phenylpentan-1-one
CID 13023589
(2R,3R)-2-hydroxy-1,2,3-triphenylpent-4-en-1-one
CID 134955660
2-hydroxy-1,2,3-triphenylpent-4-en-1-one
CID 11370873
2-(1-fluoroethyl)-1,2,3-triphenylpropane-1,3-dione
CID 175526561
2,3-dibenzoyl-2,3-dihydroxybutanedioic acid;(2R)-1-(dimethylamino)propan-2-ol
CID 68509755
2,4-dimethyl-2-phenyl(313C)pentan-3-ol
CID 12036606
2-chloro-1,2,2-triphenylethanone
CID 11301235
2-hydroxy-2-methyl-1-phenylpropan-1-one;sulfane
CID 70599278
3-hydroxy-1,2,3-triphenyl-2-propan-2-yloxypropan-1-one
CID 19878476
(2R,3R)-2,3-dihydroxy-4-methyl-1-phenylpentan-1-one
CID 134995688

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-4-methyl-1,2-diphenylpentan-1-one?
The IUPAC name of 2,3-dihydroxy-4-methyl-1,2-diphenylpentan-1-one (CID 14433421) is 2,3-dihydroxy-4-methyl-1,2-diphenylpentan-1-one.
What is the SMILES notation for 2,3-dihydroxy-4-methyl-1,2-diphenylpentan-1-one?
The canonical SMILES for 2,3-dihydroxy-4-methyl-1,2-diphenylpentan-1-one is CC(C)C(O)C(O)(C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 2,3-dihydroxy-4-methyl-1,2-diphenylpentan-1-one?
The InChIKey is BIBNNFXFEQYAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-13(2)16(19)18(21,15-11-7-4-8-12-15)17(20)14-9-5-3-6-10-14/h3-13,16,19,21H,1-2H3.
What are the key properties of 2,3-dihydroxy-4-methyl-1,2-diphenylpentan-1-one?
2,3-dihydroxy-4-methyl-1,2-diphenylpentan-1-one has a molecular weight of 284.36 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-4-methyl-1,2-diphenylpentan-1-one is sourced from PubChem (CID 14433421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).