(2R,3S,4S)-2-hydroxy-2,5,5-trimethyl-3,4-diphenylcyclopentan-1-one

C20H22O2 — CID 102142693

IUPAC(2R,3S,4S)-2-hydroxy-2,5,5-trimethyl-3,4-diphenylcyclopentan-1-one
SMILESCC1(C)C(=O)[C@](C)(O)[C@H](c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C20H22O2/c1-19(2)16(14-10-6-4-7-11-14)17(20(3,22)18(19)21)15-12-8-5-9-13-15/h4-13,16-17,22H,1-3H3/t16-,17-,20-/m1/s1
InChIKeyDBBOGTFGGKGKOH-MBOZVWFJSA-N
MW294.39 g/mol
LogP3.91
Rot. Bonds2

About (2R,3S,4S)-2-hydroxy-2,5,5-trimethyl-3,4-diphenylcyclopentan-1-one

(2R,3S,4S)-2-hydroxy-2,5,5-trimethyl-3,4-diphenylcyclopentan-1-one (PubChem CID 102142693) has the molecular formula C20H22O2 and a molecular weight of 294.39 g/mol. Its IUPAC name is (2R,3S,4S)-2-hydroxy-2,5,5-trimethyl-3,4-diphenylcyclopentan-1-one.

Molecular Properties

Compound Name(2R,3S,4S)-2-hydroxy-2,5,5-trimethyl-3,4-diphenylcyclopentan-1-one
PubChem CID102142693
Molecular FormulaC20H22O2
Molecular Weight294.39 g/mol
Exact Mass294.16
IUPAC Name(2R,3S,4S)-2-hydroxy-2,5,5-trimethyl-3,4-diphenylcyclopentan-1-one
SMILESCC1(C)C(=O)[C@](C)(O)[C@H](c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C20H22O2/c1-19(2)16(14-10-6-4-7-11-14)17(20(3,22)18(19)21)15-12-8-5-9-13-15/h4-13,16-17,22H,1-3H3/t16-,17-,20-/m1/s1
InChIKeyDBBOGTFGGKGKOH-MBOZVWFJSA-N
XLogP3.91
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Benzyl-3-hydroxy-4-phenylbutan-2-one
CID 90678203
9-Hydroxy-9-pivaloylfluorene
CID 132698
Phenyl-2-hydroxy-2-propyl ketone
CID 18781619
(2R)-1-[(1R,2R,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-2-methyl-3-phenylpropan-1-one
CID 11403835
4-Benzyl-2-butyl-2-hydroxycyclopentan-1-one
CID 12861267
1-[(1S,2R,4S,5R)-2-hydroxy-2-methyl-4,5-diphenylcyclopentyl]ethanone
CID 14929091
(1R,3aR,4S,7aR)-4-benzyl-1-hydroxy-4,7a-dimethyl-1,2,3,3a,6,7-hexahydroinden-5-one
CID 71696963
methyl (1R,2R,3R,4S)-1-hydroxy-3-methyl-4-phenyl-2-(4-phenylbut-1-en-2-yl)cyclopentane-1-carboxylate
CID 86276422
methyl (1R,2R,3R,4S)-1-hydroxy-3-methyl-4-phenyl-2-(1-phenylvinyl)cyclopentane-1-carboxylate
CID 86276424
methyl (1R,2S,3R,4S)-1-hydroxy-3-methyl-4-phenyl-2-((E)-styryl)cyclopentane-1-carboxylate
CID 86276426
methyl (1R,2S,3R,4S)-3-cyclohexyl-1-hydroxy-4-phenyl-2-vinylcyclopentane-1-carboxylate
CID 86276431
(E)-1-[(1R,2R,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-3-(4-methylphenyl)prop-2-en-1-one
CID 101198505

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S)-2-hydroxy-2,5,5-trimethyl-3,4-diphenylcyclopentan-1-one?
The IUPAC name of (2R,3S,4S)-2-hydroxy-2,5,5-trimethyl-3,4-diphenylcyclopentan-1-one (CID 102142693) is (2R,3S,4S)-2-hydroxy-2,5,5-trimethyl-3,4-diphenylcyclopentan-1-one.
What is the SMILES notation for (2R,3S,4S)-2-hydroxy-2,5,5-trimethyl-3,4-diphenylcyclopentan-1-one?
The canonical SMILES for (2R,3S,4S)-2-hydroxy-2,5,5-trimethyl-3,4-diphenylcyclopentan-1-one is CC1(C)C(=O)[C@](C)(O)[C@H](c2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of (2R,3S,4S)-2-hydroxy-2,5,5-trimethyl-3,4-diphenylcyclopentan-1-one?
The InChIKey is DBBOGTFGGKGKOH-MBOZVWFJSA-N. The full InChI is InChI=1S/C20H22O2/c1-19(2)16(14-10-6-4-7-11-14)17(20(3,22)18(19)21)15-12-8-5-9-13-15/h4-13,16-17,22H,1-3H3/t16-,17-,20-/m1/s1.
What are the key properties of (2R,3S,4S)-2-hydroxy-2,5,5-trimethyl-3,4-diphenylcyclopentan-1-one?
(2R,3S,4S)-2-hydroxy-2,5,5-trimethyl-3,4-diphenylcyclopentan-1-one has a molecular weight of 294.39 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S)-2-hydroxy-2,5,5-trimethyl-3,4-diphenylcyclopentan-1-one is sourced from PubChem (CID 102142693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).