(2S)-2-[(R)-hydroxy(phenyl)methyl]-1-phenylpentan-1-one

C18H20O2 — CID 14448660

IUPAC(2S)-2-[(R)-hydroxy(phenyl)methyl]-1-phenylpentan-1-one
SMILESCCC[C@H](C(=O)c1ccccc1)[C@@H](O)c1ccccc1
InChIInChI=1S/C18H20O2/c1-2-9-16(17(19)14-10-5-3-6-11-14)18(20)15-12-7-4-8-13-15/h3-8,10-13,16-17,19H,2,9H2,1H3/t16-,17-/m0/s1
InChIKeyZZKPNEDASLTUPX-IRXDYDNUSA-N
MW268.36 g/mol
LogP4.02
Rot. Bonds6

About (2S)-2-[(R)-hydroxy(phenyl)methyl]-1-phenylpentan-1-one

(2S)-2-[(R)-hydroxy(phenyl)methyl]-1-phenylpentan-1-one (PubChem CID 14448660) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is (2S)-2-[(R)-hydroxy(phenyl)methyl]-1-phenylpentan-1-one.

Molecular Properties

Compound Name(2S)-2-[(R)-hydroxy(phenyl)methyl]-1-phenylpentan-1-one
PubChem CID14448660
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name(2S)-2-[(R)-hydroxy(phenyl)methyl]-1-phenylpentan-1-one
SMILESCCC[C@H](C(=O)c1ccccc1)[C@@H](O)c1ccccc1
InChIInChI=1S/C18H20O2/c1-2-9-16(17(19)14-10-5-3-6-11-14)18(20)15-12-7-4-8-13-15/h3-8,10-13,16-17,19H,2,9H2,1H3/t16-,17-/m0/s1
InChIKeyZZKPNEDASLTUPX-IRXDYDNUSA-N
XLogP4.02
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-2-[(R)-hydroxy(phenyl)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

(1R,2S,4S)-1-hydroxy-4-[(R)-hydroxy(phenyl)methyl]-2-methyl-1-phenylheptan-3-one
CID 177426345
(2S)-2-[(R)-(4-fluorophenyl)-hydroxymethyl]-1-phenylbutan-1-one
CID 134934694
(1R,2R)-1,2-diphenylpentan-1-ol
CID 102474717
1-phenyl-2-propylpentan-1-ol
CID 82987900
3-chloro-2-hydroxy-1-phenylhexan-1-one
CID 21268919
(2S,3R)-3-hydroxy-1,2,3-triphenylpropan-1-one
CID 46221169
(2S,3R)-3-hydroxy-2-methyl-3-(4-methylphenyl)-1-phenylpropan-1-one
CID 12759347
(2R,3R)-3-(4-fluorophenyl)-3-hydroxy-2-methyl-1-phenylpropan-1-one
CID 11414229
2-hydroxy-1,2-diphenylethanone;propanoic acid
CID 159329247
ethyl (2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoate
CID 10013279
1-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-2-(methylamino)pentan-1-one
CID 76974159
2-ethyl-1,3-diphenylpropane-1,3-dione
CID 10514968

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(R)-hydroxy(phenyl)methyl]-1-phenylpentan-1-one?
The IUPAC name of (2S)-2-[(R)-hydroxy(phenyl)methyl]-1-phenylpentan-1-one (CID 14448660) is (2S)-2-[(R)-hydroxy(phenyl)methyl]-1-phenylpentan-1-one.
What is the SMILES notation for (2S)-2-[(R)-hydroxy(phenyl)methyl]-1-phenylpentan-1-one?
The canonical SMILES for (2S)-2-[(R)-hydroxy(phenyl)methyl]-1-phenylpentan-1-one is CCC[C@H](C(=O)c1ccccc1)[C@@H](O)c1ccccc1.
What is the InChIKey of (2S)-2-[(R)-hydroxy(phenyl)methyl]-1-phenylpentan-1-one?
The InChIKey is ZZKPNEDASLTUPX-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H20O2/c1-2-9-16(17(19)14-10-5-3-6-11-14)18(20)15-12-7-4-8-13-15/h3-8,10-13,16-17,19H,2,9H2,1H3/t16-,17-/m0/s1.
What are the key properties of (2S)-2-[(R)-hydroxy(phenyl)methyl]-1-phenylpentan-1-one?
(2S)-2-[(R)-hydroxy(phenyl)methyl]-1-phenylpentan-1-one has a molecular weight of 268.36 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(R)-hydroxy(phenyl)methyl]-1-phenylpentan-1-one is sourced from PubChem (CID 14448660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).