3-phenylmethoxycyclopentan-1-one

C12H14O2 — CID 14937024

IUPAC3-phenylmethoxycyclopentan-1-one
SMILESO=C1CCC(OCc2ccccc2)C1
InChIInChI=1S/C12H14O2/c13-11-6-7-12(8-11)14-9-10-4-2-1-3-5-10/h1-5,12H,6-9H2
InChIKeyJUSLILFQZMQLMA-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.32
Rot. Bonds3

About 3-phenylmethoxycyclopentan-1-one

3-phenylmethoxycyclopentan-1-one (PubChem CID 14937024) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 3-phenylmethoxycyclopentan-1-one.

Molecular Properties

Compound Name3-phenylmethoxycyclopentan-1-one
PubChem CID14937024
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name3-phenylmethoxycyclopentan-1-one
SMILESO=C1CCC(OCc2ccccc2)C1
InChIInChI=1S/C12H14O2/c13-11-6-7-12(8-11)14-9-10-4-2-1-3-5-10/h1-5,12H,6-9H2
InChIKeyJUSLILFQZMQLMA-UHFFFAOYSA-N
XLogP2.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenylmethoxycyclopentan-1-one?
The IUPAC name of 3-phenylmethoxycyclopentan-1-one (CID 14937024) is 3-phenylmethoxycyclopentan-1-one.
What is the SMILES notation for 3-phenylmethoxycyclopentan-1-one?
The canonical SMILES for 3-phenylmethoxycyclopentan-1-one is O=C1CCC(OCc2ccccc2)C1.
What is the InChIKey of 3-phenylmethoxycyclopentan-1-one?
The InChIKey is JUSLILFQZMQLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c13-11-6-7-12(8-11)14-9-10-4-2-1-3-5-10/h1-5,12H,6-9H2.
What are the key properties of 3-phenylmethoxycyclopentan-1-one?
3-phenylmethoxycyclopentan-1-one has a molecular weight of 190.24 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylmethoxycyclopentan-1-one is sourced from PubChem (CID 14937024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).