2-(1-phenylmethoxypropyl)cyclopentan-1-one

C15H20O2 — CID 13183894

IUPAC2-(1-phenylmethoxypropyl)cyclopentan-1-one
SMILESCCC(OCc1ccccc1)C1CCCC1=O
InChIInChI=1S/C15H20O2/c1-2-15(13-9-6-10-14(13)16)17-11-12-7-4-3-5-8-12/h3-5,7-8,13,15H,2,6,9-11H2,1H3
InChIKeyJBMYVGJXFWHGTK-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.35
Rot. Bonds5

About 2-(1-phenylmethoxypropyl)cyclopentan-1-one

2-(1-phenylmethoxypropyl)cyclopentan-1-one (PubChem CID 13183894) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-(1-phenylmethoxypropyl)cyclopentan-1-one.

Molecular Properties

Compound Name2-(1-phenylmethoxypropyl)cyclopentan-1-one
PubChem CID13183894
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name2-(1-phenylmethoxypropyl)cyclopentan-1-one
SMILESCCC(OCc1ccccc1)C1CCCC1=O
InChIInChI=1S/C15H20O2/c1-2-15(13-9-6-10-14(13)16)17-11-12-7-4-3-5-8-12/h3-5,7-8,13,15H,2,6,9-11H2,1H3
InChIKeyJBMYVGJXFWHGTK-UHFFFAOYSA-N
XLogP3.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylmethoxypropyl)cyclopentan-1-one?
The IUPAC name of 2-(1-phenylmethoxypropyl)cyclopentan-1-one (CID 13183894) is 2-(1-phenylmethoxypropyl)cyclopentan-1-one.
What is the SMILES notation for 2-(1-phenylmethoxypropyl)cyclopentan-1-one?
The canonical SMILES for 2-(1-phenylmethoxypropyl)cyclopentan-1-one is CCC(OCc1ccccc1)C1CCCC1=O.
What is the InChIKey of 2-(1-phenylmethoxypropyl)cyclopentan-1-one?
The InChIKey is JBMYVGJXFWHGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-2-15(13-9-6-10-14(13)16)17-11-12-7-4-3-5-8-12/h3-5,7-8,13,15H,2,6,9-11H2,1H3.
What are the key properties of 2-(1-phenylmethoxypropyl)cyclopentan-1-one?
2-(1-phenylmethoxypropyl)cyclopentan-1-one has a molecular weight of 232.32 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylmethoxypropyl)cyclopentan-1-one is sourced from PubChem (CID 13183894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).