(4-fluoro-2-methylphenyl)-(1-methoxy-4-methylcyclohexyl)methanone

C16H21FO2 — CID 116749257

IUPAC(4-fluoro-2-methylphenyl)-(1-methoxy-4-methylcyclohexyl)methanone
SMILESCOC1(C(=O)c2ccc(F)cc2C)CCC(C)CC1
InChIInChI=1S/C16H21FO2/c1-11-6-8-16(19-3,9-7-11)15(18)14-5-4-13(17)10-12(14)2/h4-5,10-11H,6-9H2,1-3H3
InChIKeyWQRQOPYPOFRYTL-UHFFFAOYSA-N
MW264.34 g/mol
LogP3.91
Rot. Bonds3

About (4-fluoro-2-methylphenyl)-(1-methoxy-4-methylcyclohexyl)methanone

(4-fluoro-2-methylphenyl)-(1-methoxy-4-methylcyclohexyl)methanone (PubChem CID 116749257) has the molecular formula C16H21FO2 and a molecular weight of 264.34 g/mol. Its IUPAC name is (4-fluoro-2-methylphenyl)-(1-methoxy-4-methylcyclohexyl)methanone.

Molecular Properties

Compound Name(4-fluoro-2-methylphenyl)-(1-methoxy-4-methylcyclohexyl)methanone
PubChem CID116749257
Molecular FormulaC16H21FO2
Molecular Weight264.34 g/mol
Exact Mass264.15
IUPAC Name(4-fluoro-2-methylphenyl)-(1-methoxy-4-methylcyclohexyl)methanone
SMILESCOC1(C(=O)c2ccc(F)cc2C)CCC(C)CC1
InChIInChI=1S/C16H21FO2/c1-11-6-8-16(19-3,9-7-11)15(18)14-5-4-13(17)10-12(14)2/h4-5,10-11H,6-9H2,1-3H3
InChIKeyWQRQOPYPOFRYTL-UHFFFAOYSA-N
XLogP3.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-fluoro-2-methylphenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanone
CID 105373389
2-(2,4-difluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanone
CID 116749232
(4-fluoro-2-methylphenyl)-(4-methylcyclohexyl)methanone
CID 62790629
(4-ethylphenyl)-(1-methoxy-4-methylcyclohexyl)methanone
CID 116749233
(1-methoxy-4-methylcyclohexyl)-(3-methylphenyl)methanone
CID 116749281
(1-ethoxycycloheptyl)-(4-fluoro-2-methylphenyl)methanone
CID 116750841
2-(3-fluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanone
CID 116749228
(4-bromothiophen-3-yl)-(1-methoxy-4-methylcyclohexyl)methanone
CID 116749151
(3-chlorophenyl)-(1-methoxy-4-methylcyclohexyl)methanone
CID 116749231
(2,5-difluorophenyl)-(4-methoxypiperidin-4-yl)methanone
CID 114284487
(2,5-dimethylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanone
CID 116750353
(1-ethylcyclopentyl)-(4-fluoro-2-methylphenyl)methanone
CID 114970764

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-methylphenyl)-(1-methoxy-4-methylcyclohexyl)methanone?
The IUPAC name of (4-fluoro-2-methylphenyl)-(1-methoxy-4-methylcyclohexyl)methanone (CID 116749257) is (4-fluoro-2-methylphenyl)-(1-methoxy-4-methylcyclohexyl)methanone.
What is the SMILES notation for (4-fluoro-2-methylphenyl)-(1-methoxy-4-methylcyclohexyl)methanone?
The canonical SMILES for (4-fluoro-2-methylphenyl)-(1-methoxy-4-methylcyclohexyl)methanone is COC1(C(=O)c2ccc(F)cc2C)CCC(C)CC1.
What is the InChIKey of (4-fluoro-2-methylphenyl)-(1-methoxy-4-methylcyclohexyl)methanone?
The InChIKey is WQRQOPYPOFRYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FO2/c1-11-6-8-16(19-3,9-7-11)15(18)14-5-4-13(17)10-12(14)2/h4-5,10-11H,6-9H2,1-3H3.
What are the key properties of (4-fluoro-2-methylphenyl)-(1-methoxy-4-methylcyclohexyl)methanone?
(4-fluoro-2-methylphenyl)-(1-methoxy-4-methylcyclohexyl)methanone has a molecular weight of 264.34 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-methylphenyl)-(1-methoxy-4-methylcyclohexyl)methanone is sourced from PubChem (CID 116749257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).