4-(3-chlorophenyl)-2-pentyl-2H-furan-5-one

C15H17ClO2 — CID 506559

IUPAC4-(3-chlorophenyl)-2-pentyl-2H-furan-5-one
SMILESCCCCCC1C=C(c2cccc(Cl)c2)C(=O)O1
InChIInChI=1S/C15H17ClO2/c1-2-3-4-8-13-10-14(15(17)18-13)11-6-5-7-12(16)9-11/h5-7,9-10,13H,2-4,8H2,1H3
InChIKeyCCIGBQLBLBEQOY-UHFFFAOYSA-N
MW264.75 g/mol
LogP4.23
Rot. Bonds5

About 4-(3-chlorophenyl)-2-pentyl-2H-furan-5-one

4-(3-chlorophenyl)-2-pentyl-2H-furan-5-one (PubChem CID 506559) has the molecular formula C15H17ClO2 and a molecular weight of 264.75 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-2-pentyl-2H-furan-5-one.

Molecular Properties

Compound Name4-(3-chlorophenyl)-2-pentyl-2H-furan-5-one
PubChem CID506559
Molecular FormulaC15H17ClO2
Molecular Weight264.75 g/mol
Exact Mass264.09
IUPAC Name4-(3-chlorophenyl)-2-pentyl-2H-furan-5-one
SMILESCCCCCC1C=C(c2cccc(Cl)c2)C(=O)O1
InChIInChI=1S/C15H17ClO2/c1-2-3-4-8-13-10-14(15(17)18-13)11-6-5-7-12(16)9-11/h5-7,9-10,13H,2-4,8H2,1H3
InChIKeyCCIGBQLBLBEQOY-UHFFFAOYSA-N
XLogP4.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.75
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(3-chlorophenyl)-2-pentyl-2H-furan-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-2-pentyl-2H-furan-5-one?
The IUPAC name of 4-(3-chlorophenyl)-2-pentyl-2H-furan-5-one (CID 506559) is 4-(3-chlorophenyl)-2-pentyl-2H-furan-5-one.
What is the SMILES notation for 4-(3-chlorophenyl)-2-pentyl-2H-furan-5-one?
The canonical SMILES for 4-(3-chlorophenyl)-2-pentyl-2H-furan-5-one is CCCCCC1C=C(c2cccc(Cl)c2)C(=O)O1.
What is the InChIKey of 4-(3-chlorophenyl)-2-pentyl-2H-furan-5-one?
The InChIKey is CCIGBQLBLBEQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClO2/c1-2-3-4-8-13-10-14(15(17)18-13)11-6-5-7-12(16)9-11/h5-7,9-10,13H,2-4,8H2,1H3.
What are the key properties of 4-(3-chlorophenyl)-2-pentyl-2H-furan-5-one?
4-(3-chlorophenyl)-2-pentyl-2H-furan-5-one has a molecular weight of 264.75 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-2-pentyl-2H-furan-5-one is sourced from PubChem (CID 506559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).