5-ethylidene-2-hydroxy-3-methyl-4-phenylcyclopent-2-en-1-one

C14H14O2 — CID 57358221

IUPAC5-ethylidene-2-hydroxy-3-methyl-4-phenylcyclopent-2-en-1-one
SMILESCC=C1C(=O)C(O)=C(C)C1c1ccccc1
InChIInChI=1S/C14H14O2/c1-3-11-12(9(2)13(15)14(11)16)10-7-5-4-6-8-10/h3-8,12,15H,1-2H3
InChIKeyIMAZJTXFPBOOJH-UHFFFAOYSA-N
MW214.26 g/mol
LogP3.13
Rot. Bonds1

About 5-ethylidene-2-hydroxy-3-methyl-4-phenylcyclopent-2-en-1-one

5-ethylidene-2-hydroxy-3-methyl-4-phenylcyclopent-2-en-1-one (PubChem CID 57358221) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 5-ethylidene-2-hydroxy-3-methyl-4-phenylcyclopent-2-en-1-one.

Molecular Properties

Compound Name5-ethylidene-2-hydroxy-3-methyl-4-phenylcyclopent-2-en-1-one
PubChem CID57358221
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name5-ethylidene-2-hydroxy-3-methyl-4-phenylcyclopent-2-en-1-one
SMILESCC=C1C(=O)C(O)=C(C)C1c1ccccc1
InChIInChI=1S/C14H14O2/c1-3-11-12(9(2)13(15)14(11)16)10-7-5-4-6-8-10/h3-8,12,15H,1-2H3
InChIKeyIMAZJTXFPBOOJH-UHFFFAOYSA-N
XLogP3.13
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 53.13
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 5-ethylidene-2-hydroxy-3-methyl-4-phenylcyclopent-2-en-1-one?
The IUPAC name of 5-ethylidene-2-hydroxy-3-methyl-4-phenylcyclopent-2-en-1-one (CID 57358221) is 5-ethylidene-2-hydroxy-3-methyl-4-phenylcyclopent-2-en-1-one.
What is the SMILES notation for 5-ethylidene-2-hydroxy-3-methyl-4-phenylcyclopent-2-en-1-one?
The canonical SMILES for 5-ethylidene-2-hydroxy-3-methyl-4-phenylcyclopent-2-en-1-one is CC=C1C(=O)C(O)=C(C)C1c1ccccc1.
What is the InChIKey of 5-ethylidene-2-hydroxy-3-methyl-4-phenylcyclopent-2-en-1-one?
The InChIKey is IMAZJTXFPBOOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2/c1-3-11-12(9(2)13(15)14(11)16)10-7-5-4-6-8-10/h3-8,12,15H,1-2H3.
What are the key properties of 5-ethylidene-2-hydroxy-3-methyl-4-phenylcyclopent-2-en-1-one?
5-ethylidene-2-hydroxy-3-methyl-4-phenylcyclopent-2-en-1-one has a molecular weight of 214.26 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylidene-2-hydroxy-3-methyl-4-phenylcyclopent-2-en-1-one is sourced from PubChem (CID 57358221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).