2-(3-methoxyphenyl)-2-methylcyclopentan-1-one

C13H16O2 — CID 14565708

IUPAC2-(3-methoxyphenyl)-2-methylcyclopentan-1-one
SMILESCOc1cccc(C2(C)CCCC2=O)c1
InChIInChI=1S/C13H16O2/c1-13(8-4-7-12(13)14)10-5-3-6-11(9-10)15-2/h3,5-6,9H,4,7-8H2,1-2H3
InChIKeyMOOLJUVNQKREHU-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.71
Rot. Bonds2

About 2-(3-methoxyphenyl)-2-methylcyclopentan-1-one

2-(3-methoxyphenyl)-2-methylcyclopentan-1-one (PubChem CID 14565708) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-2-methylcyclopentan-1-one.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-2-methylcyclopentan-1-one
PubChem CID14565708
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name2-(3-methoxyphenyl)-2-methylcyclopentan-1-one
SMILESCOc1cccc(C2(C)CCCC2=O)c1
InChIInChI=1S/C13H16O2/c1-13(8-4-7-12(13)14)10-5-3-6-11(9-10)15-2/h3,5-6,9H,4,7-8H2,1-2H3
InChIKeyMOOLJUVNQKREHU-UHFFFAOYSA-N
XLogP2.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methoxyphenyl)-2-methylcyclohexan-1-one
CID 20571960
(3S)-3-(3-methoxyphenyl)-3-methylpyrrolidin-2-one
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(3R)-3-(3-methoxyphenyl)-1,3-dimethylazepan-2-one
CID 11831761
(3R)-3-(3-methoxyphenyl)-3-(4-methoxyphenyl)cyclohexan-1-one
CID 134963199
1-amino-3-(3-methoxyphenyl)-3-methylpyrrolidin-2-one
CID 154955573
1-(3-methoxyphenyl)cyclobutane-1-carbaldehyde
CID 83684685
1-methoxy-3-[1,4,4-tris(3-methoxyphenyl)cyclohexyl]benzene
CID 23534042
2-chloro-6-(3-methoxyphenyl)-6-methyl-7,8-dihydroquinolin-5-one
CID 118143785
2-(3-methoxyphenyl)spiro[3.3]heptan-2-amine
CID 65009223
(2S)-2-(3-methoxyphenyl)-2-prop-2-enylcyclohexan-1-one
CID 135043755
7-methoxy-4-methyl-4-phenyl-2,3-dihydro-1H-naphthalene
CID 102291297
2-(3-methoxyphenyl)-2-methylcyclopropan-1-amine
CID 62389909

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-2-methylcyclopentan-1-one?
The IUPAC name of 2-(3-methoxyphenyl)-2-methylcyclopentan-1-one (CID 14565708) is 2-(3-methoxyphenyl)-2-methylcyclopentan-1-one.
What is the SMILES notation for 2-(3-methoxyphenyl)-2-methylcyclopentan-1-one?
The canonical SMILES for 2-(3-methoxyphenyl)-2-methylcyclopentan-1-one is COc1cccc(C2(C)CCCC2=O)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-2-methylcyclopentan-1-one?
The InChIKey is MOOLJUVNQKREHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-13(8-4-7-12(13)14)10-5-3-6-11(9-10)15-2/h3,5-6,9H,4,7-8H2,1-2H3.
What are the key properties of 2-(3-methoxyphenyl)-2-methylcyclopentan-1-one?
2-(3-methoxyphenyl)-2-methylcyclopentan-1-one has a molecular weight of 204.27 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-2-methylcyclopentan-1-one is sourced from PubChem (CID 14565708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).