1-(3-methylcyclohexyl)-3-phenylmethoxybenzene

C20H24O — CID 174634961

IUPAC1-(3-methylcyclohexyl)-3-phenylmethoxybenzene
SMILESCC1CCCC(c2cccc(OCc3ccccc3)c2)C1
InChIInChI=1S/C20H24O/c1-16-7-5-10-18(13-16)19-11-6-12-20(14-19)21-15-17-8-3-2-4-9-17/h2-4,6,8-9,11-12,14,16,18H,5,7,10,13,15H2,1H3
InChIKeyITKKKMWJQJBMKK-UHFFFAOYSA-N
MW280.41 g/mol
LogP5.56
Rot. Bonds4

About 1-(3-methylcyclohexyl)-3-phenylmethoxybenzene

1-(3-methylcyclohexyl)-3-phenylmethoxybenzene (PubChem CID 174634961) has the molecular formula C20H24O and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-(3-methylcyclohexyl)-3-phenylmethoxybenzene.

Molecular Properties

Compound Name1-(3-methylcyclohexyl)-3-phenylmethoxybenzene
PubChem CID174634961
Molecular FormulaC20H24O
Molecular Weight280.41 g/mol
Exact Mass280.18
IUPAC Name1-(3-methylcyclohexyl)-3-phenylmethoxybenzene
SMILESCC1CCCC(c2cccc(OCc3ccccc3)c2)C1
InChIInChI=1S/C20H24O/c1-16-7-5-10-18(13-16)19-11-6-12-20(14-19)21-15-17-8-3-2-4-9-17/h2-4,6,8-9,11-12,14,16,18H,5,7,10,13,15H2,1H3
InChIKeyITKKKMWJQJBMKK-UHFFFAOYSA-N
XLogP5.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.41
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-phenylmethoxyphenyl)cyclohexan-1-one
CID 18955612
1-(3,3-dimethoxycyclohexyl)-3-phenylmethoxybenzene
CID 18955609
N,N-dimethyl-2-[3-(3-phenylmethoxyphenyl)cyclobutyl]oxyethanamine
CID 173168921
tert-butyl 3-(3-phenylmethoxyphenyl)azetidine-1-carboxylate
CID 71463776
3-(3-phenylmethoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole
CID 134611920
(1R,2R,3R,5S)-8-methyl-2-(3-phenylmethoxyphenyl)-8-azabicyclo[3.2.1]octane-3-carboxylic acid;hydrochloride
CID 70577900
8-methyl-2-(3-phenylmethoxyphenyl)-8-azabicyclo[3.2.1]octane-3-carboxylic acid;hydrochloride
CID 70577902
N,N-diethyl-3-(3-methylcyclohexyl)aniline
CID 21135110
4-(3-methylcyclohexyl)-N-phenylmethoxybenzamide
CID 143807833
3-methyl-N-phenylmethoxycyclohexan-1-amine
CID 64974323
N-[(3-cyclopropylphenyl)methyl]-3-methylcyclohexan-1-amine
CID 79978765
methyl (2S,5R)-5-(3-phenylmethoxyphenyl)pyrrolidine-2-carboxylate
CID 59468954

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylcyclohexyl)-3-phenylmethoxybenzene?
The IUPAC name of 1-(3-methylcyclohexyl)-3-phenylmethoxybenzene (CID 174634961) is 1-(3-methylcyclohexyl)-3-phenylmethoxybenzene.
What is the SMILES notation for 1-(3-methylcyclohexyl)-3-phenylmethoxybenzene?
The canonical SMILES for 1-(3-methylcyclohexyl)-3-phenylmethoxybenzene is CC1CCCC(c2cccc(OCc3ccccc3)c2)C1.
What is the InChIKey of 1-(3-methylcyclohexyl)-3-phenylmethoxybenzene?
The InChIKey is ITKKKMWJQJBMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O/c1-16-7-5-10-18(13-16)19-11-6-12-20(14-19)21-15-17-8-3-2-4-9-17/h2-4,6,8-9,11-12,14,16,18H,5,7,10,13,15H2,1H3.
What are the key properties of 1-(3-methylcyclohexyl)-3-phenylmethoxybenzene?
1-(3-methylcyclohexyl)-3-phenylmethoxybenzene has a molecular weight of 280.41 g/mol, XLogP of 5.56, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylcyclohexyl)-3-phenylmethoxybenzene is sourced from PubChem (CID 174634961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).