cis-(2R,3S)-5-(2-hydroxyethyl)-3-(hydroxymethyl)-2-methyl-2-(2-phenylethyl)cyclopentan-1-one

C17H24O3 — CID 10564422

IUPACcis-(2R,3S)-5-(2-hydroxyethyl)-3-(hydroxymethyl)-2-methyl-2-(2-phenylethyl)cyclopentan-1-one
SMILESC[C@]1(CCc2ccccc2)C(=O)C(CCO)C[C@@H]1CO
InChIInChI=1S/C17H24O3/c1-17(9-7-13-5-3-2-4-6-13)15(12-19)11-14(8-10-18)16(17)20/h2-6,14-15,18-19H,7-12H2,1H3/t14?,15-,17-/m1/s1
InChIKeyVFYBNZIQBYIQET-HOSQGPGDSA-N
MW276.38 g/mol
LogP2.21
Rot. Bonds6

About cis-(2R,3S)-5-(2-hydroxyethyl)-3-(hydroxymethyl)-2-methyl-2-(2-phenylethyl)cyclopentan-1-one

cis-(2R,3S)-5-(2-hydroxyethyl)-3-(hydroxymethyl)-2-methyl-2-(2-phenylethyl)cyclopentan-1-one (PubChem CID 10564422) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is cis-(2R,3S)-5-(2-hydroxyethyl)-3-(hydroxymethyl)-2-methyl-2-(2-phenylethyl)cyclopentan-1-one.

Molecular Properties

Compound Namecis-(2R,3S)-5-(2-hydroxyethyl)-3-(hydroxymethyl)-2-methyl-2-(2-phenylethyl)cyclopentan-1-one
PubChem CID10564422
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Namecis-(2R,3S)-5-(2-hydroxyethyl)-3-(hydroxymethyl)-2-methyl-2-(2-phenylethyl)cyclopentan-1-one
SMILESC[C@]1(CCc2ccccc2)C(=O)C(CCO)C[C@@H]1CO
InChIInChI=1S/C17H24O3/c1-17(9-7-13-5-3-2-4-6-13)15(12-19)11-14(8-10-18)16(17)20/h2-6,14-15,18-19H,7-12H2,1H3/t14?,15-,17-/m1/s1
InChIKeyVFYBNZIQBYIQET-HOSQGPGDSA-N
XLogP2.21
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze cis-(2R,3S)-5-(2-hydroxyethyl)-3-(hydroxymethyl)-2-methyl-2-(2-phenylethyl)cyclopentan-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

1,13-Dihydroxy-2,2,12-trimethyl-12-phenyltridecan-7-one
CID 11462198
2,2,3-Trimethyl-4-phenylcyclopentanecarboxylic acid
CID 4529220
5-Hydroxy-1-phenyldecan-3-one
CID 57397938
5-Hydroxy-1-phenyldodecan-3-one
CID 137432120
(Z)-7-[(1R,4S,5R)-4-hydroxy-5-[(E)-3-hydroxy-5-phenylpent-1-enyl]-3,3-dimethyl-2-oxocyclopentyl]hept-5-enoic acid
CID 10409554
methyl (1S,3S,4R)-2,2,3-trimethyl-4-phenylcyclopentane-1-carboxylate
CID 24982300
methyl (1R,3S,4R)-2,2,3-trimethyl-4-phenylcyclopentane-1-carboxylate
CID 24982154
(1R,3S,4R)-2,2,3-trimethyl-4-phenylcyclopentane-1-carboxylic acid
CID 24982159
Nor-Spiculoic Acid A
CID 11383856
dinor-spiculoic acid A
CID 11440405
Isospiculoic Acid A
CID 11452571
1,11-Dihydroxy-2,10-dimethyl-2,10-diphenylundecan-6-one
CID 10110463

Frequently Asked Questions

What is the IUPAC name of cis-(2R,3S)-5-(2-hydroxyethyl)-3-(hydroxymethyl)-2-methyl-2-(2-phenylethyl)cyclopentan-1-one?
The IUPAC name of cis-(2R,3S)-5-(2-hydroxyethyl)-3-(hydroxymethyl)-2-methyl-2-(2-phenylethyl)cyclopentan-1-one (CID 10564422) is cis-(2R,3S)-5-(2-hydroxyethyl)-3-(hydroxymethyl)-2-methyl-2-(2-phenylethyl)cyclopentan-1-one.
What is the SMILES notation for cis-(2R,3S)-5-(2-hydroxyethyl)-3-(hydroxymethyl)-2-methyl-2-(2-phenylethyl)cyclopentan-1-one?
The canonical SMILES for cis-(2R,3S)-5-(2-hydroxyethyl)-3-(hydroxymethyl)-2-methyl-2-(2-phenylethyl)cyclopentan-1-one is C[C@]1(CCc2ccccc2)C(=O)C(CCO)C[C@@H]1CO.
What is the InChIKey of cis-(2R,3S)-5-(2-hydroxyethyl)-3-(hydroxymethyl)-2-methyl-2-(2-phenylethyl)cyclopentan-1-one?
The InChIKey is VFYBNZIQBYIQET-HOSQGPGDSA-N. The full InChI is InChI=1S/C17H24O3/c1-17(9-7-13-5-3-2-4-6-13)15(12-19)11-14(8-10-18)16(17)20/h2-6,14-15,18-19H,7-12H2,1H3/t14?,15-,17-/m1/s1.
What are the key properties of cis-(2R,3S)-5-(2-hydroxyethyl)-3-(hydroxymethyl)-2-methyl-2-(2-phenylethyl)cyclopentan-1-one?
cis-(2R,3S)-5-(2-hydroxyethyl)-3-(hydroxymethyl)-2-methyl-2-(2-phenylethyl)cyclopentan-1-one has a molecular weight of 276.38 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2R,3S)-5-(2-hydroxyethyl)-3-(hydroxymethyl)-2-methyl-2-(2-phenylethyl)cyclopentan-1-one is sourced from PubChem (CID 10564422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).