1-[(1R,2S,5R)-2,5-diphenylcyclohexyl]ethanone

C20H22O — CID 13397264

IUPAC1-[(1R,2S,5R)-2,5-diphenylcyclohexyl]ethanone
SMILESCC(=O)[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1c1ccccc1
InChIInChI=1S/C20H22O/c1-15(21)20-14-18(16-8-4-2-5-9-16)12-13-19(20)17-10-6-3-7-11-17/h2-11,18-20H,12-14H2,1H3/t18-,19-,20+/m1/s1
InChIKeyRHQURUARCRTSFM-AQNXPRMDSA-N
MW278.40 g/mol
LogP4.94
Rot. Bonds3

About 1-[(1R,2S,5R)-2,5-diphenylcyclohexyl]ethanone

1-[(1R,2S,5R)-2,5-diphenylcyclohexyl]ethanone (PubChem CID 13397264) has the molecular formula C20H22O and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[(1R,2S,5R)-2,5-diphenylcyclohexyl]ethanone.

Molecular Properties

Compound Name1-[(1R,2S,5R)-2,5-diphenylcyclohexyl]ethanone
PubChem CID13397264
Molecular FormulaC20H22O
Molecular Weight278.40 g/mol
Exact Mass278.17
IUPAC Name1-[(1R,2S,5R)-2,5-diphenylcyclohexyl]ethanone
SMILESCC(=O)[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1c1ccccc1
InChIInChI=1S/C20H22O/c1-15(21)20-14-18(16-8-4-2-5-9-16)12-13-19(20)17-10-6-3-7-11-17/h2-11,18-20H,12-14H2,1H3/t18-,19-,20+/m1/s1
InChIKeyRHQURUARCRTSFM-AQNXPRMDSA-N
XLogP4.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(1R,2S)-4-phenylcyclohexane-1,2-dicarboxylic acid
CID 58895627
1-[2-(3-cyclopropylphenyl)cyclopropyl]ethanone
CID 79980851
[(1S,2S,5R)-2,5-diphenylcyclohexyl]benzene
CID 100933620
2-phenylcyclobutane-1-carboxamide
CID 132565333
cis-methyl (1S,2R)-2-phenylcyclobutane-1-carboxylate
CID 99991979
(1S,2S,4S)-2-benzoyl-4-phenylcyclohexane-1-carboxylic acid
CID 101034358
ethane;2-phenylcyclopropane-1-carboxylic acid
CID 91570346
phenyl 2-phenylcyclobutane-1-carboxylate
CID 143786245
cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516
acetic acid;trans-(1R,2S)-2-phenylcyclopropan-1-amine
CID 22216545
1-[4-(4-chlorophenyl)-2-hydroxycyclohexyl]ethanone
CID 91060117
benzene;cyclopropylbenzene
CID 144638417

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S,5R)-2,5-diphenylcyclohexyl]ethanone?
The IUPAC name of 1-[(1R,2S,5R)-2,5-diphenylcyclohexyl]ethanone (CID 13397264) is 1-[(1R,2S,5R)-2,5-diphenylcyclohexyl]ethanone.
What is the SMILES notation for 1-[(1R,2S,5R)-2,5-diphenylcyclohexyl]ethanone?
The canonical SMILES for 1-[(1R,2S,5R)-2,5-diphenylcyclohexyl]ethanone is CC(=O)[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1c1ccccc1.
What is the InChIKey of 1-[(1R,2S,5R)-2,5-diphenylcyclohexyl]ethanone?
The InChIKey is RHQURUARCRTSFM-AQNXPRMDSA-N. The full InChI is InChI=1S/C20H22O/c1-15(21)20-14-18(16-8-4-2-5-9-16)12-13-19(20)17-10-6-3-7-11-17/h2-11,18-20H,12-14H2,1H3/t18-,19-,20+/m1/s1.
What are the key properties of 1-[(1R,2S,5R)-2,5-diphenylcyclohexyl]ethanone?
1-[(1R,2S,5R)-2,5-diphenylcyclohexyl]ethanone has a molecular weight of 278.40 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S,5R)-2,5-diphenylcyclohexyl]ethanone is sourced from PubChem (CID 13397264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).