[(1S,2R,5R)-2-hydroxy-2-methyl-5-phenylcyclopentyl]-phenylmethanone

C19H20O2 — CID 12981734

IUPAC[(1S,2R,5R)-2-hydroxy-2-methyl-5-phenylcyclopentyl]-phenylmethanone
SMILESC[C@@]1(O)CC[C@@H](c2ccccc2)[C@@H]1C(=O)c1ccccc1
InChIInChI=1S/C19H20O2/c1-19(21)13-12-16(14-8-4-2-5-9-14)17(19)18(20)15-10-6-3-7-11-15/h2-11,16-17,21H,12-13H2,1H3/t16-,17+,19+/m0/s1
InChIKeyVODNDZUPNQNTKG-YQVWRLOYSA-N
MW280.37 g/mol
LogP3.81
Rot. Bonds3

About [(1S,2R,5R)-2-hydroxy-2-methyl-5-phenylcyclopentyl]-phenylmethanone

[(1S,2R,5R)-2-hydroxy-2-methyl-5-phenylcyclopentyl]-phenylmethanone (PubChem CID 12981734) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is [(1S,2R,5R)-2-hydroxy-2-methyl-5-phenylcyclopentyl]-phenylmethanone.

Molecular Properties

Compound Name[(1S,2R,5R)-2-hydroxy-2-methyl-5-phenylcyclopentyl]-phenylmethanone
PubChem CID12981734
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name[(1S,2R,5R)-2-hydroxy-2-methyl-5-phenylcyclopentyl]-phenylmethanone
SMILESC[C@@]1(O)CC[C@@H](c2ccccc2)[C@@H]1C(=O)c1ccccc1
InChIInChI=1S/C19H20O2/c1-19(21)13-12-16(14-8-4-2-5-9-14)17(19)18(20)15-10-6-3-7-11-15/h2-11,16-17,21H,12-13H2,1H3/t16-,17+,19+/m0/s1
InChIKeyVODNDZUPNQNTKG-YQVWRLOYSA-N
XLogP3.81
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Hydroxy-1,5-diphenyl-1-pentanone
CID 11021438
Decanophenone, 2-(1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propyl)-
CID 98986
[(1R,3aS,6aR)-5-hexyl-1-hydroxy-4-phenyl-2,3,6,6a-tetrahydro-1H-pentalen-3a-yl]-phenylmethanone
CID 155545328
2-(1-Hydroxycyclohexyl)-1-phenylethanone
CID 10420939
1-Pentanone, 3-hydroxy-1,5-diphenyl-, (3S)-
CID 10858018
3-Hydroxy-3-methyl-1-phenylbutan-1-one
CID 640205
1-Propanone, 3-cyclohexyl-3-hydroxy-2-methyl-1-phenyl-
CID 10514592
2-(5-Benzoylcyclohexa-2,4-dien-1-yl)propanoic acid
CID 129850105
(2R)-2-[(R)-cyclohexyl(hydroxy)methyl]-2-fluoro-3H-inden-1-one
CID 134954057
cis-(2R,3R)-3-[(2-benzoylphenyl)methyl]-2-fluoro-3-hydroxy-2-methylcyclopentan-1-one
CID 134962595
(2S,3S)-3-cyclohexyl-3-hydroxy-2-methyl-1-phenylpropan-1-one
CID 13023588
4-Benzoyl-3a-hydroxy-7a-methyl-5-propyl-octahydro-inden-1-one
CID 102483126

Frequently Asked Questions

What is the IUPAC name of [(1S,2R,5R)-2-hydroxy-2-methyl-5-phenylcyclopentyl]-phenylmethanone?
The IUPAC name of [(1S,2R,5R)-2-hydroxy-2-methyl-5-phenylcyclopentyl]-phenylmethanone (CID 12981734) is [(1S,2R,5R)-2-hydroxy-2-methyl-5-phenylcyclopentyl]-phenylmethanone.
What is the SMILES notation for [(1S,2R,5R)-2-hydroxy-2-methyl-5-phenylcyclopentyl]-phenylmethanone?
The canonical SMILES for [(1S,2R,5R)-2-hydroxy-2-methyl-5-phenylcyclopentyl]-phenylmethanone is C[C@@]1(O)CC[C@@H](c2ccccc2)[C@@H]1C(=O)c1ccccc1.
What is the InChIKey of [(1S,2R,5R)-2-hydroxy-2-methyl-5-phenylcyclopentyl]-phenylmethanone?
The InChIKey is VODNDZUPNQNTKG-YQVWRLOYSA-N. The full InChI is InChI=1S/C19H20O2/c1-19(21)13-12-16(14-8-4-2-5-9-14)17(19)18(20)15-10-6-3-7-11-15/h2-11,16-17,21H,12-13H2,1H3/t16-,17+,19+/m0/s1.
What are the key properties of [(1S,2R,5R)-2-hydroxy-2-methyl-5-phenylcyclopentyl]-phenylmethanone?
[(1S,2R,5R)-2-hydroxy-2-methyl-5-phenylcyclopentyl]-phenylmethanone has a molecular weight of 280.37 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,5R)-2-hydroxy-2-methyl-5-phenylcyclopentyl]-phenylmethanone is sourced from PubChem (CID 12981734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).