3-hydroxy-2-phenylcyclopent-2-en-1-one

C11H10O2 — CID 14470518

IUPAC3-hydroxy-2-phenylcyclopent-2-en-1-one
SMILESO=C1CCC(O)=C1c1ccccc1
InChIInChI=1S/C11H10O2/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8/h1-5,12H,6-7H2
InChIKeyYSNOZOOLCMJCQW-UHFFFAOYSA-N
MW174.20 g/mol
LogP2.32
Rot. Bonds1

About 3-hydroxy-2-phenylcyclopent-2-en-1-one

3-hydroxy-2-phenylcyclopent-2-en-1-one (PubChem CID 14470518) has the molecular formula C11H10O2 and a molecular weight of 174.20 g/mol. Its IUPAC name is 3-hydroxy-2-phenylcyclopent-2-en-1-one.

Molecular Properties

Compound Name3-hydroxy-2-phenylcyclopent-2-en-1-one
PubChem CID14470518
Molecular FormulaC11H10O2
Molecular Weight174.20 g/mol
Exact Mass174.07
IUPAC Name3-hydroxy-2-phenylcyclopent-2-en-1-one
SMILESO=C1CCC(O)=C1c1ccccc1
InChIInChI=1S/C11H10O2/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8/h1-5,12H,6-7H2
InChIKeyYSNOZOOLCMJCQW-UHFFFAOYSA-N
XLogP2.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-phenylcyclopent-2-en-1-one?
The IUPAC name of 3-hydroxy-2-phenylcyclopent-2-en-1-one (CID 14470518) is 3-hydroxy-2-phenylcyclopent-2-en-1-one.
What is the SMILES notation for 3-hydroxy-2-phenylcyclopent-2-en-1-one?
The canonical SMILES for 3-hydroxy-2-phenylcyclopent-2-en-1-one is O=C1CCC(O)=C1c1ccccc1.
What is the InChIKey of 3-hydroxy-2-phenylcyclopent-2-en-1-one?
The InChIKey is YSNOZOOLCMJCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8/h1-5,12H,6-7H2.
What are the key properties of 3-hydroxy-2-phenylcyclopent-2-en-1-one?
3-hydroxy-2-phenylcyclopent-2-en-1-one has a molecular weight of 174.20 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-phenylcyclopent-2-en-1-one is sourced from PubChem (CID 14470518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).