2-pentyl-4-phenylfuran

C15H18O — CID 10798694

IUPAC2-pentyl-4-phenylfuran
SMILESCCCCCc1cc(-c2ccccc2)co1
InChIInChI=1S/C15H18O/c1-2-3-5-10-15-11-14(12-16-15)13-8-6-4-7-9-13/h4,6-9,11-12H,2-3,5,10H2,1H3
InChIKeyVXGBEJOEDJDRSY-UHFFFAOYSA-N
MW214.31 g/mol
LogP4.68
Rot. Bonds5

About 2-pentyl-4-phenylfuran

2-pentyl-4-phenylfuran (PubChem CID 10798694) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-pentyl-4-phenylfuran.

Molecular Properties

Compound Name2-pentyl-4-phenylfuran
PubChem CID10798694
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name2-pentyl-4-phenylfuran
SMILESCCCCCc1cc(-c2ccccc2)co1
InChIInChI=1S/C15H18O/c1-2-3-5-10-15-11-14(12-16-15)13-8-6-4-7-9-13/h4,6-9,11-12H,2-3,5,10H2,1H3
InChIKeyVXGBEJOEDJDRSY-UHFFFAOYSA-N
XLogP4.68
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-pentyl-4-phenylfuran 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 2-pentyl-4-phenylfuran?
The IUPAC name of 2-pentyl-4-phenylfuran (CID 10798694) is 2-pentyl-4-phenylfuran.
What is the SMILES notation for 2-pentyl-4-phenylfuran?
The canonical SMILES for 2-pentyl-4-phenylfuran is CCCCCc1cc(-c2ccccc2)co1.
What is the InChIKey of 2-pentyl-4-phenylfuran?
The InChIKey is VXGBEJOEDJDRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O/c1-2-3-5-10-15-11-14(12-16-15)13-8-6-4-7-9-13/h4,6-9,11-12H,2-3,5,10H2,1H3.
What are the key properties of 2-pentyl-4-phenylfuran?
2-pentyl-4-phenylfuran has a molecular weight of 214.31 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyl-4-phenylfuran is sourced from PubChem (CID 10798694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).