3-(4-methoxy-2-pyridin-2-ylphenyl)cyclopentan-1-one

C17H17NO2 — CID 135058930

IUPAC3-(4-methoxy-2-pyridin-2-ylphenyl)cyclopentan-1-one
SMILESCOc1ccc(C2CCC(=O)C2)c(-c2ccccn2)c1
InChIInChI=1S/C17H17NO2/c1-20-14-7-8-15(12-5-6-13(19)10-12)16(11-14)17-4-2-3-9-18-17/h2-4,7-9,11-12H,5-6,10H2,1H3
InChIKeyFIXLXVHQYUNHIN-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.59
Rot. Bonds3

About 3-(4-methoxy-2-pyridin-2-ylphenyl)cyclopentan-1-one

3-(4-methoxy-2-pyridin-2-ylphenyl)cyclopentan-1-one (PubChem CID 135058930) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-(4-methoxy-2-pyridin-2-ylphenyl)cyclopentan-1-one.

Molecular Properties

Compound Name3-(4-methoxy-2-pyridin-2-ylphenyl)cyclopentan-1-one
PubChem CID135058930
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name3-(4-methoxy-2-pyridin-2-ylphenyl)cyclopentan-1-one
SMILESCOc1ccc(C2CCC(=O)C2)c(-c2ccccn2)c1
InChIInChI=1S/C17H17NO2/c1-20-14-7-8-15(12-5-6-13(19)10-12)16(11-14)17-4-2-3-9-18-17/h2-4,7-9,11-12H,5-6,10H2,1H3
InChIKeyFIXLXVHQYUNHIN-UHFFFAOYSA-N
XLogP3.59
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-cyclooctyl-4-methoxyphenyl)pyridine
CID 102473912
(3R)-3-pyridin-2-ylcyclopentan-1-one
CID 39235685
3-(4-methoxyphenyl)cyclopentan-1-one
CID 14090910
2-(2-ethynyl-5-methoxyphenyl)pyridine
CID 87144328
3-(2,6-dimethoxyphenyl)cyclopentan-1-one
CID 112705599
4-pyridin-2-ylcyclohexan-1-one
CID 21187660
(2Z)-2-[(2-methoxyphenyl)methylidene]-4-pyridin-2-ylcyclohexan-1-one
CID 68643083
N-ethyl-5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(pyridin-2-ylmethyl)aniline
CID 66626931
5-methoxy-3-(4-pyridin-2-ylphenyl)-3H-2-benzofuran-1-one
CID 11197902
3-(3-methoxyphenyl)cycloheptan-1-one
CID 64505032
7-methoxy-4-(2-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-one
CID 12623955
[4-ethyl-3-[5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)phenyl]-2-pyridinyl]methanamine
CID 66626932

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-2-pyridin-2-ylphenyl)cyclopentan-1-one?
The IUPAC name of 3-(4-methoxy-2-pyridin-2-ylphenyl)cyclopentan-1-one (CID 135058930) is 3-(4-methoxy-2-pyridin-2-ylphenyl)cyclopentan-1-one.
What is the SMILES notation for 3-(4-methoxy-2-pyridin-2-ylphenyl)cyclopentan-1-one?
The canonical SMILES for 3-(4-methoxy-2-pyridin-2-ylphenyl)cyclopentan-1-one is COc1ccc(C2CCC(=O)C2)c(-c2ccccn2)c1.
What is the InChIKey of 3-(4-methoxy-2-pyridin-2-ylphenyl)cyclopentan-1-one?
The InChIKey is FIXLXVHQYUNHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-20-14-7-8-15(12-5-6-13(19)10-12)16(11-14)17-4-2-3-9-18-17/h2-4,7-9,11-12H,5-6,10H2,1H3.
What are the key properties of 3-(4-methoxy-2-pyridin-2-ylphenyl)cyclopentan-1-one?
3-(4-methoxy-2-pyridin-2-ylphenyl)cyclopentan-1-one has a molecular weight of 267.33 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-2-pyridin-2-ylphenyl)cyclopentan-1-one is sourced from PubChem (CID 135058930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).