(1-methoxy-4-methylcyclohexyl)-(3-methylphenyl)methanone

C16H22O2 — CID 116749281

IUPAC(1-methoxy-4-methylcyclohexyl)-(3-methylphenyl)methanone
SMILESCOC1(C(=O)c2cccc(C)c2)CCC(C)CC1
InChIInChI=1S/C16H22O2/c1-12-7-9-16(18-3,10-8-12)15(17)14-6-4-5-13(2)11-14/h4-6,11-12H,7-10H2,1-3H3
InChIKeyUIOJPNJYNMGRHY-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.77
Rot. Bonds3

About (1-methoxy-4-methylcyclohexyl)-(3-methylphenyl)methanone

(1-methoxy-4-methylcyclohexyl)-(3-methylphenyl)methanone (PubChem CID 116749281) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is (1-methoxy-4-methylcyclohexyl)-(3-methylphenyl)methanone.

Molecular Properties

Compound Name(1-methoxy-4-methylcyclohexyl)-(3-methylphenyl)methanone
PubChem CID116749281
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name(1-methoxy-4-methylcyclohexyl)-(3-methylphenyl)methanone
SMILESCOC1(C(=O)c2cccc(C)c2)CCC(C)CC1
InChIInChI=1S/C16H22O2/c1-12-7-9-16(18-3,10-8-12)15(17)14-6-4-5-13(2)11-14/h4-6,11-12H,7-10H2,1-3H3
InChIKeyUIOJPNJYNMGRHY-UHFFFAOYSA-N
XLogP3.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chlorophenyl)-(1-methoxy-4-methylcyclohexyl)methanone
CID 116749231
(4-methoxyoxan-4-yl)-(3-methylphenyl)methanone
CID 116748760
(4-ethylphenyl)-(1-methoxy-4-methylcyclohexyl)methanone
CID 116749233
(3,5-dimethylphenyl)-(1-methoxycyclobutyl)methanone
CID 116706979
(1-ethoxy-3-methylcyclohexyl)-(3-methylphenyl)methanone
CID 116749984
(3-cyclobutylphenyl)-(1-methoxycycloheptyl)methanone
CID 114602144
(4-fluoro-2-methylphenyl)-(1-methoxy-4-methylcyclohexyl)methanone
CID 116749257
2,3-dihydro-1-benzofuran-5-yl-(1-methoxy-4-methylcyclohexyl)methanone
CID 116749158
methyl 1-(3-methylbenzoyl)cyclobutane-1-carboxylate
CID 116922080
(3-cyclopropyloxyphenyl)-(1-methoxycycloheptyl)methanone
CID 114521285
2-(3-fluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanone
CID 116749228
(1-methoxycyclopentyl)-(4-methylphenyl)methanone
CID 104610071

Frequently Asked Questions

What is the IUPAC name of (1-methoxy-4-methylcyclohexyl)-(3-methylphenyl)methanone?
The IUPAC name of (1-methoxy-4-methylcyclohexyl)-(3-methylphenyl)methanone (CID 116749281) is (1-methoxy-4-methylcyclohexyl)-(3-methylphenyl)methanone.
What is the SMILES notation for (1-methoxy-4-methylcyclohexyl)-(3-methylphenyl)methanone?
The canonical SMILES for (1-methoxy-4-methylcyclohexyl)-(3-methylphenyl)methanone is COC1(C(=O)c2cccc(C)c2)CCC(C)CC1.
What is the InChIKey of (1-methoxy-4-methylcyclohexyl)-(3-methylphenyl)methanone?
The InChIKey is UIOJPNJYNMGRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-12-7-9-16(18-3,10-8-12)15(17)14-6-4-5-13(2)11-14/h4-6,11-12H,7-10H2,1-3H3.
What are the key properties of (1-methoxy-4-methylcyclohexyl)-(3-methylphenyl)methanone?
(1-methoxy-4-methylcyclohexyl)-(3-methylphenyl)methanone has a molecular weight of 246.35 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxy-4-methylcyclohexyl)-(3-methylphenyl)methanone is sourced from PubChem (CID 116749281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).