(2-fluoro-4-methoxyphenyl)-[1-(6-methyl-2-pyridinyl)cyclohexyl]methanone

C20H22FNO2 — CID 175922234

IUPAC(2-fluoro-4-methoxyphenyl)-[1-(6-methyl-2-pyridinyl)cyclohexyl]methanone
SMILESCOc1ccc(C(=O)C2(c3cccc(C)n3)CCCCC2)c(F)c1
InChIInChI=1S/C20H22FNO2/c1-14-7-6-8-18(22-14)20(11-4-3-5-12-20)19(23)16-10-9-15(24-2)13-17(16)21/h6-10,13H,3-5,11-12H2,1-2H3
InChIKeyBGFWLBXNCJYEOG-UHFFFAOYSA-N
MW327.40 g/mol
LogP4.62
Rot. Bonds4

About (2-fluoro-4-methoxyphenyl)-[1-(6-methyl-2-pyridinyl)cyclohexyl]methanone

(2-fluoro-4-methoxyphenyl)-[1-(6-methyl-2-pyridinyl)cyclohexyl]methanone (PubChem CID 175922234) has the molecular formula C20H22FNO2 and a molecular weight of 327.40 g/mol. Its IUPAC name is (2-fluoro-4-methoxyphenyl)-[1-(6-methyl-2-pyridinyl)cyclohexyl]methanone.

Molecular Properties

Compound Name(2-fluoro-4-methoxyphenyl)-[1-(6-methyl-2-pyridinyl)cyclohexyl]methanone
PubChem CID175922234
Molecular FormulaC20H22FNO2
Molecular Weight327.40 g/mol
Exact Mass327.16
IUPAC Name(2-fluoro-4-methoxyphenyl)-[1-(6-methyl-2-pyridinyl)cyclohexyl]methanone
SMILESCOc1ccc(C(=O)C2(c3cccc(C)n3)CCCCC2)c(F)c1
InChIInChI=1S/C20H22FNO2/c1-14-7-6-8-18(22-14)20(11-4-3-5-12-20)19(23)16-10-9-15(24-2)13-17(16)21/h6-10,13H,3-5,11-12H2,1-2H3
InChIKeyBGFWLBXNCJYEOG-UHFFFAOYSA-N
XLogP4.62
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-methyl-2-pyridinyl)cyclopentane-1-carboxylic acid
CID 96617960
(1-ethoxycycloheptyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 103395364
1-[(1S,2S)-2-(2-fluoro-4-methoxyphenyl)-5-oxocyclopentyl]-3-[1-(6-methyl-2-pyridinyl)cyclopropyl]urea
CID 146967670
(2-fluoro-4-methoxyphenyl)-(3-propylpyrrolidin-3-yl)methanone
CID 103397099
1-(2,6-difluoro-4-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117393686
azocan-1-yl-(2-fluoro-4-methoxyphenyl)methanone
CID 113218844
N-[1-(aminomethyl)cyclopentyl]-2-fluoro-4-methoxybenzamide
CID 103806873
N-(1-carbamothioylcyclopentyl)-2-fluoro-4-methoxybenzamide
CID 102883138
(2,6-dichlorophenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 43561133
1-(2-fluorophenyl)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 100672872
2-fluoro-N-[2-[(2-fluoro-4-methoxybenzoyl)-methylamino]cyclohexyl]-4-methoxy-N-methylbenzamide
CID 166182143
(2,6-difluoro-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 102882225

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-methoxyphenyl)-[1-(6-methyl-2-pyridinyl)cyclohexyl]methanone?
The IUPAC name of (2-fluoro-4-methoxyphenyl)-[1-(6-methyl-2-pyridinyl)cyclohexyl]methanone (CID 175922234) is (2-fluoro-4-methoxyphenyl)-[1-(6-methyl-2-pyridinyl)cyclohexyl]methanone.
What is the SMILES notation for (2-fluoro-4-methoxyphenyl)-[1-(6-methyl-2-pyridinyl)cyclohexyl]methanone?
The canonical SMILES for (2-fluoro-4-methoxyphenyl)-[1-(6-methyl-2-pyridinyl)cyclohexyl]methanone is COc1ccc(C(=O)C2(c3cccc(C)n3)CCCCC2)c(F)c1.
What is the InChIKey of (2-fluoro-4-methoxyphenyl)-[1-(6-methyl-2-pyridinyl)cyclohexyl]methanone?
The InChIKey is BGFWLBXNCJYEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO2/c1-14-7-6-8-18(22-14)20(11-4-3-5-12-20)19(23)16-10-9-15(24-2)13-17(16)21/h6-10,13H,3-5,11-12H2,1-2H3.
What are the key properties of (2-fluoro-4-methoxyphenyl)-[1-(6-methyl-2-pyridinyl)cyclohexyl]methanone?
(2-fluoro-4-methoxyphenyl)-[1-(6-methyl-2-pyridinyl)cyclohexyl]methanone has a molecular weight of 327.40 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-methoxyphenyl)-[1-(6-methyl-2-pyridinyl)cyclohexyl]methanone is sourced from PubChem (CID 175922234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).