(2-fluoro-4-methoxyphenyl)-(4-methylcyclohexyl)methanone

C15H19FO2 — CID 81304901

IUPAC(2-fluoro-4-methoxyphenyl)-(4-methylcyclohexyl)methanone
SMILESCOc1ccc(C(=O)C2CCC(C)CC2)c(F)c1
InChIInChI=1S/C15H19FO2/c1-10-3-5-11(6-4-10)15(17)13-8-7-12(18-2)9-14(13)16/h7-11H,3-6H2,1-2H3
InChIKeyQQAAGPXABUTVPW-UHFFFAOYSA-N
MW250.31 g/mol
LogP3.84
Rot. Bonds3

About (2-fluoro-4-methoxyphenyl)-(4-methylcyclohexyl)methanone

(2-fluoro-4-methoxyphenyl)-(4-methylcyclohexyl)methanone (PubChem CID 81304901) has the molecular formula C15H19FO2 and a molecular weight of 250.31 g/mol. Its IUPAC name is (2-fluoro-4-methoxyphenyl)-(4-methylcyclohexyl)methanone.

Molecular Properties

Compound Name(2-fluoro-4-methoxyphenyl)-(4-methylcyclohexyl)methanone
PubChem CID81304901
Molecular FormulaC15H19FO2
Molecular Weight250.31 g/mol
Exact Mass250.14
IUPAC Name(2-fluoro-4-methoxyphenyl)-(4-methylcyclohexyl)methanone
SMILESCOc1ccc(C(=O)C2CCC(C)CC2)c(F)c1
InChIInChI=1S/C15H19FO2/c1-10-3-5-11(6-4-10)15(17)13-8-7-12(18-2)9-14(13)16/h7-11H,3-6H2,1-2H3
InChIKeyQQAAGPXABUTVPW-UHFFFAOYSA-N
XLogP3.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-aminocyclopentyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 103397145
(2-fluoro-4-methoxyphenyl)-pyrrolidin-3-ylmethanone
CID 103397092
(2-fluoro-4-methoxyphenyl)-(2-methylcyclopentyl)methanone
CID 107176454
[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone
CID 103715025
(2,5-difluorophenyl)-(4-methylcyclohexyl)methanone
CID 55120292
(4-fluoro-2-methylphenyl)-(4-methylcyclohexyl)methanone
CID 62790629
(4-aminocyclopent-2-en-1-yl)-(2-fluoro-4-methoxyphenyl)methanone
CID 103397139
(2,4-dimethylpiperidin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone
CID 103687923
[2-(aminomethyl)cyclohexyl]-(2-fluoro-4-methoxyphenyl)methanone
CID 103397138
(2-fluoro-4-methoxyphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 81299046
N-(1-cyano-4-methylcyclohexyl)-2-fluoro-4-methoxybenzamide
CID 102883092
(4,4-difluorocyclohexyl)-(2,4-dimethoxyphenyl)methanone
CID 105097800

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-methoxyphenyl)-(4-methylcyclohexyl)methanone?
The IUPAC name of (2-fluoro-4-methoxyphenyl)-(4-methylcyclohexyl)methanone (CID 81304901) is (2-fluoro-4-methoxyphenyl)-(4-methylcyclohexyl)methanone.
What is the SMILES notation for (2-fluoro-4-methoxyphenyl)-(4-methylcyclohexyl)methanone?
The canonical SMILES for (2-fluoro-4-methoxyphenyl)-(4-methylcyclohexyl)methanone is COc1ccc(C(=O)C2CCC(C)CC2)c(F)c1.
What is the InChIKey of (2-fluoro-4-methoxyphenyl)-(4-methylcyclohexyl)methanone?
The InChIKey is QQAAGPXABUTVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO2/c1-10-3-5-11(6-4-10)15(17)13-8-7-12(18-2)9-14(13)16/h7-11H,3-6H2,1-2H3.
What are the key properties of (2-fluoro-4-methoxyphenyl)-(4-methylcyclohexyl)methanone?
(2-fluoro-4-methoxyphenyl)-(4-methylcyclohexyl)methanone has a molecular weight of 250.31 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-methoxyphenyl)-(4-methylcyclohexyl)methanone is sourced from PubChem (CID 81304901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).