3-(2-phenylphenoxy)cyclopentan-1-one

C17H16O2 — CID 79643797

IUPAC3-(2-phenylphenoxy)cyclopentan-1-one
SMILESO=C1CCC(Oc2ccccc2-c2ccccc2)C1
InChIInChI=1S/C17H16O2/c18-14-10-11-15(12-14)19-17-9-5-4-8-16(17)13-6-2-1-3-7-13/h1-9,15H,10-12H2
InChIKeyKFYZAKJFMYQEIO-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.85
Rot. Bonds3

About 3-(2-phenylphenoxy)cyclopentan-1-one

3-(2-phenylphenoxy)cyclopentan-1-one (PubChem CID 79643797) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-(2-phenylphenoxy)cyclopentan-1-one.

Molecular Properties

Compound Name3-(2-phenylphenoxy)cyclopentan-1-one
PubChem CID79643797
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name3-(2-phenylphenoxy)cyclopentan-1-one
SMILESO=C1CCC(Oc2ccccc2-c2ccccc2)C1
InChIInChI=1S/C17H16O2/c18-14-10-11-15(12-14)19-17-9-5-4-8-16(17)13-6-2-1-3-7-13/h1-9,15H,10-12H2
InChIKeyKFYZAKJFMYQEIO-UHFFFAOYSA-N
XLogP3.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylphenoxy)cyclopentan-1-one?
The IUPAC name of 3-(2-phenylphenoxy)cyclopentan-1-one (CID 79643797) is 3-(2-phenylphenoxy)cyclopentan-1-one.
What is the SMILES notation for 3-(2-phenylphenoxy)cyclopentan-1-one?
The canonical SMILES for 3-(2-phenylphenoxy)cyclopentan-1-one is O=C1CCC(Oc2ccccc2-c2ccccc2)C1.
What is the InChIKey of 3-(2-phenylphenoxy)cyclopentan-1-one?
The InChIKey is KFYZAKJFMYQEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c18-14-10-11-15(12-14)19-17-9-5-4-8-16(17)13-6-2-1-3-7-13/h1-9,15H,10-12H2.
What are the key properties of 3-(2-phenylphenoxy)cyclopentan-1-one?
3-(2-phenylphenoxy)cyclopentan-1-one has a molecular weight of 252.31 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylphenoxy)cyclopentan-1-one is sourced from PubChem (CID 79643797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).