1-[[(1R,2S)-2-methoxycyclohexyl]methyl]-3,5-dimethylbenzene

C16H24O — CID 164673300

IUPAC1-[[(1R,2S)-2-methoxycyclohexyl]methyl]-3,5-dimethylbenzene
SMILESCO[C@H]1CCCC[C@@H]1Cc1cc(C)cc(C)c1
InChIInChI=1S/C16H24O/c1-12-8-13(2)10-14(9-12)11-15-6-4-5-7-16(15)17-3/h8-10,15-16H,4-7,11H2,1-3H3/t15-,16+/m1/s1
InChIKeyAYGPFPHMHRICBE-CVEARBPZSA-N
MW232.37 g/mol
LogP4.05
Rot. Bonds3

About 1-[[(1R,2S)-2-methoxycyclohexyl]methyl]-3,5-dimethylbenzene

1-[[(1R,2S)-2-methoxycyclohexyl]methyl]-3,5-dimethylbenzene (PubChem CID 164673300) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-[[(1R,2S)-2-methoxycyclohexyl]methyl]-3,5-dimethylbenzene.

Molecular Properties

Compound Name1-[[(1R,2S)-2-methoxycyclohexyl]methyl]-3,5-dimethylbenzene
PubChem CID164673300
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name1-[[(1R,2S)-2-methoxycyclohexyl]methyl]-3,5-dimethylbenzene
SMILESCO[C@H]1CCCC[C@@H]1Cc1cc(C)cc(C)c1
InChIInChI=1S/C16H24O/c1-12-8-13(2)10-14(9-12)11-15-6-4-5-7-16(15)17-3/h8-10,15-16H,4-7,11H2,1-3H3/t15-,16+/m1/s1
InChIKeyAYGPFPHMHRICBE-CVEARBPZSA-N
XLogP4.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Benzene, [2-(cyclohexyloxy)ethyl]-
CID 166527
(3-Methoxy-2-methylpropyl)benzene
CID 22336876
Benzyl tetrahydropyran
CID 12284886
(E)-1,7-diphenylhept-6-en-3-ol
CID 5316931
1,5-Diphenylpentan-3-ol
CID 12838510
(S)-1,7-Diphenylhept-6-En-3-Ol
CID 44560846
(3xi,6E)-1,7-Diphenyl-6-hepten-3-ol
CID 131750968
(3S)-1,7-diphenylheptan-3-ol
CID 44560925
(r)-1,7-Diphenyl-3-heptanol
CID 129821339
Bis-(3-phenylpropyl)-ether
CID 345938
[(E,3S)-3-methoxy-7-phenylhept-6-enyl]benzene
CID 44560894
(E,3R)-1,7-diphenylhept-6-en-3-ol
CID 102294797

Frequently Asked Questions

What is the IUPAC name of 1-[[(1R,2S)-2-methoxycyclohexyl]methyl]-3,5-dimethylbenzene?
The IUPAC name of 1-[[(1R,2S)-2-methoxycyclohexyl]methyl]-3,5-dimethylbenzene (CID 164673300) is 1-[[(1R,2S)-2-methoxycyclohexyl]methyl]-3,5-dimethylbenzene.
What is the SMILES notation for 1-[[(1R,2S)-2-methoxycyclohexyl]methyl]-3,5-dimethylbenzene?
The canonical SMILES for 1-[[(1R,2S)-2-methoxycyclohexyl]methyl]-3,5-dimethylbenzene is CO[C@H]1CCCC[C@@H]1Cc1cc(C)cc(C)c1.
What is the InChIKey of 1-[[(1R,2S)-2-methoxycyclohexyl]methyl]-3,5-dimethylbenzene?
The InChIKey is AYGPFPHMHRICBE-CVEARBPZSA-N. The full InChI is InChI=1S/C16H24O/c1-12-8-13(2)10-14(9-12)11-15-6-4-5-7-16(15)17-3/h8-10,15-16H,4-7,11H2,1-3H3/t15-,16+/m1/s1.
What are the key properties of 1-[[(1R,2S)-2-methoxycyclohexyl]methyl]-3,5-dimethylbenzene?
1-[[(1R,2S)-2-methoxycyclohexyl]methyl]-3,5-dimethylbenzene has a molecular weight of 232.37 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R,2S)-2-methoxycyclohexyl]methyl]-3,5-dimethylbenzene is sourced from PubChem (CID 164673300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).