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

C24H24 — CID 100933620

IUPAC[(1S,2S,5R)-2,5-diphenylcyclohexyl]benzene
SMILESc1ccc([C@@H]2CC[C@H](c3ccccc3)[C@@H](c3ccccc3)C2)cc1
InChIInChI=1S/C24H24/c1-4-10-19(11-5-1)22-16-17-23(20-12-6-2-7-13-20)24(18-22)21-14-8-3-9-15-21/h1-15,22-24H,16-18H2/t22-,23-,24-/m1/s1
InChIKeyJHBVMWSBRRWIJQ-WXFUMESZSA-N
MW312.46 g/mol
LogP6.52
Rot. Bonds3

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

[(1S,2S,5R)-2,5-diphenylcyclohexyl]benzene (PubChem CID 100933620) has the molecular formula C24H24 and a molecular weight of 312.46 g/mol. Its IUPAC name is [(1S,2S,5R)-2,5-diphenylcyclohexyl]benzene.

Molecular Properties

Compound Name[(1S,2S,5R)-2,5-diphenylcyclohexyl]benzene
PubChem CID100933620
Molecular FormulaC24H24
Molecular Weight312.46 g/mol
Exact Mass312.19
IUPAC Name[(1S,2S,5R)-2,5-diphenylcyclohexyl]benzene
SMILESc1ccc([C@@H]2CC[C@H](c3ccccc3)[C@@H](c3ccccc3)C2)cc1
InChIInChI=1S/C24H24/c1-4-10-19(11-5-1)22-16-17-23(20-12-6-2-7-13-20)24(18-22)21-14-8-3-9-15-21/h1-15,22-24H,16-18H2/t22-,23-,24-/m1/s1
InChIKeyJHBVMWSBRRWIJQ-WXFUMESZSA-N
XLogP6.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.46
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1S,2S,4R)-2-phenylbicyclo[2.2.1]heptan-7-one
CID 10607594
benzene;cyclopropylbenzene
CID 144638417
5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 18695843
1-[(1R,2S,5R)-2,5-diphenylcyclohexyl]ethanone
CID 13397264
6,18-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosane-9,21-dione
CID 91570017
(1R,2R,3R,6S)-3,6-diphenylcyclohexane-1,2-diol
CID 98598015
(1R,2R,3S,6S)-3,6-diphenylcyclohexane-1,2-diol
CID 124792855
(3-nitrosocyclopentyl)benzene
CID 91103024
(3-methylcyclopentyl)benzene;propane
CID 142973096
[(1S,3R)-3-phenylcyclopentyl]methanamine
CID 95435355
[(1R,3S)-3-phenylcyclopentyl]methanamine
CID 95435358
cis-(1R,2S)-4-phenylcyclohexane-1,2-dicarboxylic acid
CID 58895627

Frequently Asked Questions

What is the IUPAC name of [(1S,2S,5R)-2,5-diphenylcyclohexyl]benzene?
The IUPAC name of [(1S,2S,5R)-2,5-diphenylcyclohexyl]benzene (CID 100933620) is [(1S,2S,5R)-2,5-diphenylcyclohexyl]benzene.
What is the SMILES notation for [(1S,2S,5R)-2,5-diphenylcyclohexyl]benzene?
The canonical SMILES for [(1S,2S,5R)-2,5-diphenylcyclohexyl]benzene is c1ccc([C@@H]2CC[C@H](c3ccccc3)[C@@H](c3ccccc3)C2)cc1.
What is the InChIKey of [(1S,2S,5R)-2,5-diphenylcyclohexyl]benzene?
The InChIKey is JHBVMWSBRRWIJQ-WXFUMESZSA-N. The full InChI is InChI=1S/C24H24/c1-4-10-19(11-5-1)22-16-17-23(20-12-6-2-7-13-20)24(18-22)21-14-8-3-9-15-21/h1-15,22-24H,16-18H2/t22-,23-,24-/m1/s1.
What are the key properties of [(1S,2S,5R)-2,5-diphenylcyclohexyl]benzene?
[(1S,2S,5R)-2,5-diphenylcyclohexyl]benzene has a molecular weight of 312.46 g/mol, XLogP of 6.52, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,5R)-2,5-diphenylcyclohexyl]benzene is sourced from PubChem (CID 100933620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).