(2R,3R)-2,3-dihydroxy-4-methyl-1-phenylpentan-1-one

C12H16O3 — CID 134995688

IUPAC(2R,3R)-2,3-dihydroxy-4-methyl-1-phenylpentan-1-one
SMILESCC(C)[C@@H](O)[C@@H](O)C(=O)c1ccccc1
InChIInChI=1S/C12H16O3/c1-8(2)10(13)12(15)11(14)9-6-4-3-5-7-9/h3-8,10,12-13,15H,1-2H3/t10-,12-/m1/s1
InChIKeyMJERGYPKGOPGDB-ZYHUDNBSSA-N
MW208.26 g/mol
LogP1.25
Rot. Bonds4

About (2R,3R)-2,3-dihydroxy-4-methyl-1-phenylpentan-1-one

(2R,3R)-2,3-dihydroxy-4-methyl-1-phenylpentan-1-one (PubChem CID 134995688) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is (2R,3R)-2,3-dihydroxy-4-methyl-1-phenylpentan-1-one.

Molecular Properties

Compound Name(2R,3R)-2,3-dihydroxy-4-methyl-1-phenylpentan-1-one
PubChem CID134995688
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name(2R,3R)-2,3-dihydroxy-4-methyl-1-phenylpentan-1-one
SMILESCC(C)[C@@H](O)[C@@H](O)C(=O)c1ccccc1
InChIInChI=1S/C12H16O3/c1-8(2)10(13)12(15)11(14)9-6-4-3-5-7-9/h3-8,10,12-13,15H,1-2H3/t10-,12-/m1/s1
InChIKeyMJERGYPKGOPGDB-ZYHUDNBSSA-N
XLogP1.25
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R,3R)-2,3-dihydroxy-4-methyl-1-phenylpentan-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

2,3,4,4-tetrahydroxy-1-phenylbutan-1-one
CID 66852156
(2R,3R)-2-chloro-3-hydroxy-4-methyl-1-phenylpentan-1-one
CID 15441495
2,3,4-trihydroxy-1-phenylhexan-1-one
CID 176900279
(2R,3S)-2-hydroxy-3-methyl-1-phenylpent-4-en-1-one
CID 11735641
(2S,3R)-2-ethyl-3-hydroxy-4-methyl-1-phenylpentan-1-one
CID 15750969
(2R,3R)-2-hydroxy-3-methyl-1-phenylpentan-1-one
CID 129384215
(2S,3S)-2-hydroxy-3-methyl-1,5-diphenylpentane-1,5-dione
CID 10802844
3-hydroxy-2,4-dimethyl-1-(4-phenylphenyl)pentan-1-one
CID 134942515
(2R)-2-amino-3-methyl-1-phenylbutan-1-one
CID 23245859
2-hydroxy-1-phenyl-2-(4-propan-2-ylphenyl)ethanone
CID 23513084
3-hydroxy-2,4,4-trimethyl-1-phenylpentan-1-one
CID 13023589
(2S,3R)-3-hydroxy-2-methyl-3-(4-methylphenyl)-1-phenylpropan-1-one
CID 12759347

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3-dihydroxy-4-methyl-1-phenylpentan-1-one?
The IUPAC name of (2R,3R)-2,3-dihydroxy-4-methyl-1-phenylpentan-1-one (CID 134995688) is (2R,3R)-2,3-dihydroxy-4-methyl-1-phenylpentan-1-one.
What is the SMILES notation for (2R,3R)-2,3-dihydroxy-4-methyl-1-phenylpentan-1-one?
The canonical SMILES for (2R,3R)-2,3-dihydroxy-4-methyl-1-phenylpentan-1-one is CC(C)[C@@H](O)[C@@H](O)C(=O)c1ccccc1.
What is the InChIKey of (2R,3R)-2,3-dihydroxy-4-methyl-1-phenylpentan-1-one?
The InChIKey is MJERGYPKGOPGDB-ZYHUDNBSSA-N. The full InChI is InChI=1S/C12H16O3/c1-8(2)10(13)12(15)11(14)9-6-4-3-5-7-9/h3-8,10,12-13,15H,1-2H3/t10-,12-/m1/s1.
What are the key properties of (2R,3R)-2,3-dihydroxy-4-methyl-1-phenylpentan-1-one?
(2R,3R)-2,3-dihydroxy-4-methyl-1-phenylpentan-1-one has a molecular weight of 208.26 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3-dihydroxy-4-methyl-1-phenylpentan-1-one is sourced from PubChem (CID 134995688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).