[(1S,3R)-3-methylcyclohexyl]benzene

C13H18 — CID 134965435

IUPAC[(1S,3R)-3-methylcyclohexyl]benzene
SMILESC[C@@H]1CCC[C@H](c2ccccc2)C1
InChIInChI=1S/C13H18/c1-11-6-5-9-13(10-11)12-7-3-2-4-8-12/h2-4,7-8,11,13H,5-6,9-10H2,1H3/t11-,13+/m1/s1
InChIKeyUXXPWMSRTKKHNF-YPMHNXCESA-N
MW174.29 g/mol
LogP3.98
Rot. Bonds1

About [(1S,3R)-3-methylcyclohexyl]benzene

[(1S,3R)-3-methylcyclohexyl]benzene (PubChem CID 134965435) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is [(1S,3R)-3-methylcyclohexyl]benzene.

Molecular Properties

Compound Name[(1S,3R)-3-methylcyclohexyl]benzene
PubChem CID134965435
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name[(1S,3R)-3-methylcyclohexyl]benzene
SMILESC[C@@H]1CCC[C@H](c2ccccc2)C1
InChIInChI=1S/C13H18/c1-11-6-5-9-13(10-11)12-7-3-2-4-8-12/h2-4,7-8,11,13H,5-6,9-10H2,1H3/t11-,13+/m1/s1
InChIKeyUXXPWMSRTKKHNF-YPMHNXCESA-N
XLogP3.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(3-methylcyclopentyl)benzene;propane
CID 142973096
2-(3-methylcyclohexyl)-4-phenylcyclohexan-1-ol
CID 79422415
1-ethenyl-4-(3-methylcyclohexyl)benzene
CID 145419029
1-(3-methylcyclohexyl)-3-phenylmethoxybenzene
CID 174634961
4-(3-methylcyclohexyl)benzamide
CID 54069897
2-(3-methylcyclohexyl)aniline
CID 15340119
N,N-dimethyl-3-phenylcyclohexan-1-amine;methanamine
CID 142330128
2-(3-methylcyclohexyl)sulfanyl-4-phenylcyclohexan-1-amine
CID 64632216
N,N-diethyl-3-(3-methylcyclohexyl)aniline
CID 21135110
cyclopentylbenzene;iron
CID 158512704
trans-(1R,3R)-3-phenylcycloheptan-1-ol
CID 95376716
4-(3-methylcyclohexyl)-N-phenylmethoxybenzamide
CID 143807833

Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-3-methylcyclohexyl]benzene?
The IUPAC name of [(1S,3R)-3-methylcyclohexyl]benzene (CID 134965435) is [(1S,3R)-3-methylcyclohexyl]benzene.
What is the SMILES notation for [(1S,3R)-3-methylcyclohexyl]benzene?
The canonical SMILES for [(1S,3R)-3-methylcyclohexyl]benzene is C[C@@H]1CCC[C@H](c2ccccc2)C1.
What is the InChIKey of [(1S,3R)-3-methylcyclohexyl]benzene?
The InChIKey is UXXPWMSRTKKHNF-YPMHNXCESA-N. The full InChI is InChI=1S/C13H18/c1-11-6-5-9-13(10-11)12-7-3-2-4-8-12/h2-4,7-8,11,13H,5-6,9-10H2,1H3/t11-,13+/m1/s1.
What are the key properties of [(1S,3R)-3-methylcyclohexyl]benzene?
[(1S,3R)-3-methylcyclohexyl]benzene has a molecular weight of 174.29 g/mol, XLogP of 3.98, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-3-methylcyclohexyl]benzene is sourced from PubChem (CID 134965435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).