3-[(2-methoxyphenyl)methyl]cyclopentan-1-one

C13H16O2 — CID 64521537

IUPAC3-[(2-methoxyphenyl)methyl]cyclopentan-1-one
SMILESCOc1ccccc1CC1CCC(=O)C1
InChIInChI=1S/C13H16O2/c1-15-13-5-3-2-4-11(13)8-10-6-7-12(14)9-10/h2-5,10H,6-9H2,1H3
InChIKeyZVPAECZEPOAVSB-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.61
Rot. Bonds3

About 3-[(2-methoxyphenyl)methyl]cyclopentan-1-one

3-[(2-methoxyphenyl)methyl]cyclopentan-1-one (PubChem CID 64521537) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 3-[(2-methoxyphenyl)methyl]cyclopentan-1-one.

Molecular Properties

Compound Name3-[(2-methoxyphenyl)methyl]cyclopentan-1-one
PubChem CID64521537
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name3-[(2-methoxyphenyl)methyl]cyclopentan-1-one
SMILESCOc1ccccc1CC1CCC(=O)C1
InChIInChI=1S/C13H16O2/c1-15-13-5-3-2-4-11(13)8-10-6-7-12(14)9-10/h2-5,10H,6-9H2,1H3
InChIKeyZVPAECZEPOAVSB-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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyphenyl)methyl]cyclopentan-1-one?
The IUPAC name of 3-[(2-methoxyphenyl)methyl]cyclopentan-1-one (CID 64521537) is 3-[(2-methoxyphenyl)methyl]cyclopentan-1-one.
What is the SMILES notation for 3-[(2-methoxyphenyl)methyl]cyclopentan-1-one?
The canonical SMILES for 3-[(2-methoxyphenyl)methyl]cyclopentan-1-one is COc1ccccc1CC1CCC(=O)C1.
What is the InChIKey of 3-[(2-methoxyphenyl)methyl]cyclopentan-1-one?
The InChIKey is ZVPAECZEPOAVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-15-13-5-3-2-4-11(13)8-10-6-7-12(14)9-10/h2-5,10H,6-9H2,1H3.
What are the key properties of 3-[(2-methoxyphenyl)methyl]cyclopentan-1-one?
3-[(2-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 3-[(2-methoxyphenyl)methyl]cyclopentan-1-one is sourced from PubChem (CID 64521537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).