4-(5-fluoro-2-methoxybenzoyl)cyclohexan-1-one

C14H15FO3 — CID 116920251

IUPAC4-(5-fluoro-2-methoxybenzoyl)cyclohexan-1-one
SMILESCOc1ccc(F)cc1C(=O)C1CCC(=O)CC1
InChIInChI=1S/C14H15FO3/c1-18-13-7-4-10(15)8-12(13)14(17)9-2-5-11(16)6-3-9/h4,7-9H,2-3,5-6H2,1H3
InChIKeyRJRSMFDQCXHESL-UHFFFAOYSA-N
MW250.27 g/mol
LogP2.78
Rot. Bonds3

About 4-(5-fluoro-2-methoxybenzoyl)cyclohexan-1-one

4-(5-fluoro-2-methoxybenzoyl)cyclohexan-1-one (PubChem CID 116920251) has the molecular formula C14H15FO3 and a molecular weight of 250.27 g/mol. Its IUPAC name is 4-(5-fluoro-2-methoxybenzoyl)cyclohexan-1-one.

Molecular Properties

Compound Name4-(5-fluoro-2-methoxybenzoyl)cyclohexan-1-one
PubChem CID116920251
Molecular FormulaC14H15FO3
Molecular Weight250.27 g/mol
Exact Mass250.10
IUPAC Name4-(5-fluoro-2-methoxybenzoyl)cyclohexan-1-one
SMILESCOc1ccc(F)cc1C(=O)C1CCC(=O)CC1
InChIInChI=1S/C14H15FO3/c1-18-13-7-4-10(15)8-12(13)14(17)9-2-5-11(16)6-3-9/h4,7-9H,2-3,5-6H2,1H3
InChIKeyRJRSMFDQCXHESL-UHFFFAOYSA-N
XLogP2.78
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-fluoro-2-methoxyphenyl)-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171947309
(5-fluoro-2-methoxyphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171947307
(5-fluoro-2-methoxyphenyl)-(thiolan-3-yl)methanone
CID 105125105
(5-fluoro-2-methoxyphenyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171947320
4-(4-methoxy-3-methylbenzoyl)cyclohexan-1-one
CID 116920244
3-(2,4-difluorobenzoyl)cyclopentan-1-one
CID 79639435
(2,2-dimethylcyclohexyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 107176350
cyclopropyl-(5-iodo-2-methoxyphenyl)methanone
CID 43161691
[2-(aminomethyl)cyclohexyl]-(5-fluoro-2-methoxyphenyl)methanone
CID 116584688
(5-chloro-2-methoxyphenyl)-cycloheptylmethanone
CID 65399771
cyclobutyl-(5-iodo-2-methoxyphenyl)methanone
CID 43161686
2-cyclobutyl-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 103162387

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-methoxybenzoyl)cyclohexan-1-one?
The IUPAC name of 4-(5-fluoro-2-methoxybenzoyl)cyclohexan-1-one (CID 116920251) is 4-(5-fluoro-2-methoxybenzoyl)cyclohexan-1-one.
What is the SMILES notation for 4-(5-fluoro-2-methoxybenzoyl)cyclohexan-1-one?
The canonical SMILES for 4-(5-fluoro-2-methoxybenzoyl)cyclohexan-1-one is COc1ccc(F)cc1C(=O)C1CCC(=O)CC1.
What is the InChIKey of 4-(5-fluoro-2-methoxybenzoyl)cyclohexan-1-one?
The InChIKey is RJRSMFDQCXHESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FO3/c1-18-13-7-4-10(15)8-12(13)14(17)9-2-5-11(16)6-3-9/h4,7-9H,2-3,5-6H2,1H3.
What are the key properties of 4-(5-fluoro-2-methoxybenzoyl)cyclohexan-1-one?
4-(5-fluoro-2-methoxybenzoyl)cyclohexan-1-one has a molecular weight of 250.27 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-methoxybenzoyl)cyclohexan-1-one is sourced from PubChem (CID 116920251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).