2-[hydroxy(phenyl)methyl]-5-methylidenecyclopent-2-en-1-one

C13H12O2 — CID 16741524

IUPAC2-[hydroxy(phenyl)methyl]-5-methylidenecyclopent-2-en-1-one
SMILESC=C1CC=C(C(O)c2ccccc2)C1=O
InChIInChI=1S/C13H12O2/c1-9-7-8-11(12(9)14)13(15)10-5-3-2-4-6-10/h2-6,8,13,15H,1,7H2
InChIKeyLTAYCKDHEPISTM-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.18
Rot. Bonds2

About 2-[hydroxy(phenyl)methyl]-5-methylidenecyclopent-2-en-1-one

2-[hydroxy(phenyl)methyl]-5-methylidenecyclopent-2-en-1-one (PubChem CID 16741524) has the molecular formula C13H12O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-[hydroxy(phenyl)methyl]-5-methylidenecyclopent-2-en-1-one.

Molecular Properties

Compound Name2-[hydroxy(phenyl)methyl]-5-methylidenecyclopent-2-en-1-one
PubChem CID16741524
Molecular FormulaC13H12O2
Molecular Weight200.24 g/mol
Exact Mass200.08
IUPAC Name2-[hydroxy(phenyl)methyl]-5-methylidenecyclopent-2-en-1-one
SMILESC=C1CC=C(C(O)c2ccccc2)C1=O
InChIInChI=1S/C13H12O2/c1-9-7-8-11(12(9)14)13(15)10-5-3-2-4-6-10/h2-6,8,13,15H,1,7H2
InChIKeyLTAYCKDHEPISTM-UHFFFAOYSA-N
XLogP2.18
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy(phenyl)methyl]-5-methylidenecyclopent-2-en-1-one?
The IUPAC name of 2-[hydroxy(phenyl)methyl]-5-methylidenecyclopent-2-en-1-one (CID 16741524) is 2-[hydroxy(phenyl)methyl]-5-methylidenecyclopent-2-en-1-one.
What is the SMILES notation for 2-[hydroxy(phenyl)methyl]-5-methylidenecyclopent-2-en-1-one?
The canonical SMILES for 2-[hydroxy(phenyl)methyl]-5-methylidenecyclopent-2-en-1-one is C=C1CC=C(C(O)c2ccccc2)C1=O.
What is the InChIKey of 2-[hydroxy(phenyl)methyl]-5-methylidenecyclopent-2-en-1-one?
The InChIKey is LTAYCKDHEPISTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2/c1-9-7-8-11(12(9)14)13(15)10-5-3-2-4-6-10/h2-6,8,13,15H,1,7H2.
What are the key properties of 2-[hydroxy(phenyl)methyl]-5-methylidenecyclopent-2-en-1-one?
2-[hydroxy(phenyl)methyl]-5-methylidenecyclopent-2-en-1-one has a molecular weight of 200.24 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy(phenyl)methyl]-5-methylidenecyclopent-2-en-1-one is sourced from PubChem (CID 16741524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).