1-(3-hydroxycyclopentyl)-2-phenylethanone

C13H16O2 — CID 23033532

IUPAC1-(3-hydroxycyclopentyl)-2-phenylethanone
SMILESO=C(Cc1ccccc1)C1CCC(O)C1
InChIInChI=1S/C13H16O2/c14-12-7-6-11(9-12)13(15)8-10-4-2-1-3-5-10/h1-5,11-12,14H,6-9H2
InChIKeyBQVVKOHKNHTMSI-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.96
Rot. Bonds3

About 1-(3-hydroxycyclopentyl)-2-phenylethanone

1-(3-hydroxycyclopentyl)-2-phenylethanone (PubChem CID 23033532) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-(3-hydroxycyclopentyl)-2-phenylethanone.

Molecular Properties

Compound Name1-(3-hydroxycyclopentyl)-2-phenylethanone
PubChem CID23033532
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name1-(3-hydroxycyclopentyl)-2-phenylethanone
SMILESO=C(Cc1ccccc1)C1CCC(O)C1
InChIInChI=1S/C13H16O2/c14-12-7-6-11(9-12)13(15)8-10-4-2-1-3-5-10/h1-5,11-12,14H,6-9H2
InChIKeyBQVVKOHKNHTMSI-UHFFFAOYSA-N
XLogP1.96
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxycyclopentyl)-2-phenylethanone?
The IUPAC name of 1-(3-hydroxycyclopentyl)-2-phenylethanone (CID 23033532) is 1-(3-hydroxycyclopentyl)-2-phenylethanone.
What is the SMILES notation for 1-(3-hydroxycyclopentyl)-2-phenylethanone?
The canonical SMILES for 1-(3-hydroxycyclopentyl)-2-phenylethanone is O=C(Cc1ccccc1)C1CCC(O)C1.
What is the InChIKey of 1-(3-hydroxycyclopentyl)-2-phenylethanone?
The InChIKey is BQVVKOHKNHTMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c14-12-7-6-11(9-12)13(15)8-10-4-2-1-3-5-10/h1-5,11-12,14H,6-9H2.
What are the key properties of 1-(3-hydroxycyclopentyl)-2-phenylethanone?
1-(3-hydroxycyclopentyl)-2-phenylethanone has a molecular weight of 204.27 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxycyclopentyl)-2-phenylethanone is sourced from PubChem (CID 23033532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).