1-(3,5-dimethoxycyclohexyl)-4-methylbenzene

C15H22O2 — CID 132915546

IUPAC1-(3,5-dimethoxycyclohexyl)-4-methylbenzene
SMILESCOC1CC(OC)CC(c2ccc(C)cc2)C1
InChIInChI=1S/C15H22O2/c1-11-4-6-12(7-5-11)13-8-14(16-2)10-15(9-13)17-3/h4-7,13-15H,8-10H2,1-3H3
InChIKeyUISOETRYMJPFNF-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.29
Rot. Bonds3

About 1-(3,5-dimethoxycyclohexyl)-4-methylbenzene

1-(3,5-dimethoxycyclohexyl)-4-methylbenzene (PubChem CID 132915546) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(3,5-dimethoxycyclohexyl)-4-methylbenzene.

Molecular Properties

Compound Name1-(3,5-dimethoxycyclohexyl)-4-methylbenzene
PubChem CID132915546
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name1-(3,5-dimethoxycyclohexyl)-4-methylbenzene
SMILESCOC1CC(OC)CC(c2ccc(C)cc2)C1
InChIInChI=1S/C15H22O2/c1-11-4-6-12(7-5-11)13-8-14(16-2)10-15(9-13)17-3/h4-7,13-15H,8-10H2,1-3H3
InChIKeyUISOETRYMJPFNF-UHFFFAOYSA-N
XLogP3.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dimethyl-4-(4-methylphenyl)piperidine
CID 59343380
(1R,5S)-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane
CID 58503490
1-cyclohexyl-4-methylbenzene;methoxymethane
CID 143168317
[3-(4-methylphenyl)cyclobutyl]methanamine
CID 83635912
1-cyclopropyl-4-methylbenzene;methanol
CID 143290478
1-cyclopropyl-4-methylbenzene;ethane;methane
CID 164862835
1-methyl-4-[4-[4-(4-methylphenyl)cyclohexyl]phenyl]benzene
CID 59265320
N-(2-methoxypropyl)-3-(4-methylphenyl)cyclobutan-1-amine
CID 102696984
7-(3-methoxycyclobutyl)-1,2,3,4-tetrahydroisoquinoline
CID 139461246
1,1-dimethyl-3-(4-methylphenyl)azetidin-1-ium
CID 145430184
CID 59940181
CID 59940181
ethane;1-methyl-4-[4-(4-methylcyclohexyl)oxycyclohexyl]benzene
CID 54304761

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxycyclohexyl)-4-methylbenzene?
The IUPAC name of 1-(3,5-dimethoxycyclohexyl)-4-methylbenzene (CID 132915546) is 1-(3,5-dimethoxycyclohexyl)-4-methylbenzene.
What is the SMILES notation for 1-(3,5-dimethoxycyclohexyl)-4-methylbenzene?
The canonical SMILES for 1-(3,5-dimethoxycyclohexyl)-4-methylbenzene is COC1CC(OC)CC(c2ccc(C)cc2)C1.
What is the InChIKey of 1-(3,5-dimethoxycyclohexyl)-4-methylbenzene?
The InChIKey is UISOETRYMJPFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-11-4-6-12(7-5-11)13-8-14(16-2)10-15(9-13)17-3/h4-7,13-15H,8-10H2,1-3H3.
What are the key properties of 1-(3,5-dimethoxycyclohexyl)-4-methylbenzene?
1-(3,5-dimethoxycyclohexyl)-4-methylbenzene has a molecular weight of 234.34 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxycyclohexyl)-4-methylbenzene is sourced from PubChem (CID 132915546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).