2-benzyl-3-hydroxycyclopent-2-en-1-one

C12H12O2 — CID 15187907

IUPAC2-benzyl-3-hydroxycyclopent-2-en-1-one
SMILESO=C1CCC(O)=C1Cc1ccccc1
InChIInChI=1S/C12H12O2/c13-11-6-7-12(14)10(11)8-9-4-2-1-3-5-9/h1-5,13H,6-8H2
InChIKeyAMWXFZPCZLTXQO-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.40
Rot. Bonds2

About 2-benzyl-3-hydroxycyclopent-2-en-1-one

2-benzyl-3-hydroxycyclopent-2-en-1-one (PubChem CID 15187907) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-benzyl-3-hydroxycyclopent-2-en-1-one.

Molecular Properties

Compound Name2-benzyl-3-hydroxycyclopent-2-en-1-one
PubChem CID15187907
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name2-benzyl-3-hydroxycyclopent-2-en-1-one
SMILESO=C1CCC(O)=C1Cc1ccccc1
InChIInChI=1S/C12H12O2/c13-11-6-7-12(14)10(11)8-9-4-2-1-3-5-9/h1-5,13H,6-8H2
InChIKeyAMWXFZPCZLTXQO-UHFFFAOYSA-N
XLogP2.40
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-hydroxycyclopent-2-en-1-one?
The IUPAC name of 2-benzyl-3-hydroxycyclopent-2-en-1-one (CID 15187907) is 2-benzyl-3-hydroxycyclopent-2-en-1-one.
What is the SMILES notation for 2-benzyl-3-hydroxycyclopent-2-en-1-one?
The canonical SMILES for 2-benzyl-3-hydroxycyclopent-2-en-1-one is O=C1CCC(O)=C1Cc1ccccc1.
What is the InChIKey of 2-benzyl-3-hydroxycyclopent-2-en-1-one?
The InChIKey is AMWXFZPCZLTXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c13-11-6-7-12(14)10(11)8-9-4-2-1-3-5-9/h1-5,13H,6-8H2.
What are the key properties of 2-benzyl-3-hydroxycyclopent-2-en-1-one?
2-benzyl-3-hydroxycyclopent-2-en-1-one has a molecular weight of 188.23 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-hydroxycyclopent-2-en-1-one is sourced from PubChem (CID 15187907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).