2-[(4-methoxyphenyl)methyl]cyclopentan-1-one

C13H16O2 — CID 11790327

IUPAC2-[(4-methoxyphenyl)methyl]cyclopentan-1-one
SMILESCOc1ccc(CC2CCCC2=O)cc1
InChIInChI=1S/C13H16O2/c1-15-12-7-5-10(6-8-12)9-11-3-2-4-13(11)14/h5-8,11H,2-4,9H2,1H3
InChIKeyILOBDFZALNUIDL-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.61
Rot. Bonds3

About 2-[(4-methoxyphenyl)methyl]cyclopentan-1-one

2-[(4-methoxyphenyl)methyl]cyclopentan-1-one (PubChem CID 11790327) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]cyclopentan-1-one
PubChem CID11790327
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name2-[(4-methoxyphenyl)methyl]cyclopentan-1-one
SMILESCOc1ccc(CC2CCCC2=O)cc1
InChIInChI=1S/C13H16O2/c1-15-12-7-5-10(6-8-12)9-11-3-2-4-13(11)14/h5-8,11H,2-4,9H2,1H3
InChIKeyILOBDFZALNUIDL-UHFFFAOYSA-N
XLogP2.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(3-methoxyphenyl)methyl]cyclohexan-1-one
CID 57106440
2-[(4-methylphenyl)methyl]cyclopentan-1-one
CID 18714737
4-[(4-methoxyphenyl)methyl]oxan-3-one
CID 66825112
2-[(4-chlorophenyl)methyl]cyclopentan-1-one;methyl formate
CID 174804298
2-[(4-pentoxyphenyl)methyl]cyclohexan-1-one
CID 82185917
2-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]cyclohexan-1-one
CID 82185908
1-methoxy-3-methylbenzene;2-[(3-methoxyphenyl)methyl]cyclohexan-1-one
CID 145337501
2-[2-(4-methoxyphenyl)-2-oxoethyl]cyclopentan-1-one
CID 14381769
(3S)-3-[(4-methoxyphenyl)methyl]piperidine-2,6-dione
CID 92849982
2-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclohexan-1-one
CID 82185910
(2R)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-2-[4-[[(1R)-2-oxocyclopentyl]methyl]phenyl]propanamide
CID 97264314
N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-2-[4-[(2-oxocyclopentyl)methyl]phenyl]propanamide
CID 71703103

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]cyclopentan-1-one?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]cyclopentan-1-one (CID 11790327) is 2-[(4-methoxyphenyl)methyl]cyclopentan-1-one.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]cyclopentan-1-one?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]cyclopentan-1-one is COc1ccc(CC2CCCC2=O)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]cyclopentan-1-one?
The InChIKey is ILOBDFZALNUIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-15-12-7-5-10(6-8-12)9-11-3-2-4-13(11)14/h5-8,11H,2-4,9H2,1H3.
What are the key properties of 2-[(4-methoxyphenyl)methyl]cyclopentan-1-one?
2-[(4-methoxyphenyl)methyl]cyclopentan-1-one has a molecular weight of 204.27 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]cyclopentan-1-one is sourced from PubChem (CID 11790327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).