3,5-dimethyl-6-[(E)-pent-3-enyl]-1-benzofuran

C15H18O — CID 5317317

IUPAC3,5-dimethyl-6-[(E)-pent-3-enyl]-1-benzofuran
SMILESC/C=C/CCc1cc2occ(C)c2cc1C
InChIInChI=1S/C15H18O/c1-4-5-6-7-13-9-15-14(8-11(13)2)12(3)10-16-15/h4-5,8-10H,6-7H2,1-3H3/b5-4+
InChIKeyYSEAISJCEBJBPG-SNAWJCMRSA-N
MW214.31 g/mol
LogP4.56
Rot. Bonds3

About 3,5-dimethyl-6-[(E)-pent-3-enyl]-1-benzofuran

3,5-dimethyl-6-[(E)-pent-3-enyl]-1-benzofuran (PubChem CID 5317317) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is 3,5-dimethyl-6-[(E)-pent-3-enyl]-1-benzofuran.

Molecular Properties

Compound Name3,5-dimethyl-6-[(E)-pent-3-enyl]-1-benzofuran
PubChem CID5317317
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name3,5-dimethyl-6-[(E)-pent-3-enyl]-1-benzofuran
SMILESC/C=C/CCc1cc2occ(C)c2cc1C
InChIInChI=1S/C15H18O/c1-4-5-6-7-13-9-15-14(8-11(13)2)12(3)10-16-15/h4-5,8-10H,6-7H2,1-3H3/b5-4+
InChIKeyYSEAISJCEBJBPG-SNAWJCMRSA-N
XLogP4.56
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,5-dimethyl-6-[(E)-pent-3-enyl]-1-benzofuran 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 3,5-dimethyl-6-[(E)-pent-3-enyl]-1-benzofuran?
The IUPAC name of 3,5-dimethyl-6-[(E)-pent-3-enyl]-1-benzofuran (CID 5317317) is 3,5-dimethyl-6-[(E)-pent-3-enyl]-1-benzofuran.
What is the SMILES notation for 3,5-dimethyl-6-[(E)-pent-3-enyl]-1-benzofuran?
The canonical SMILES for 3,5-dimethyl-6-[(E)-pent-3-enyl]-1-benzofuran is C/C=C/CCc1cc2occ(C)c2cc1C.
What is the InChIKey of 3,5-dimethyl-6-[(E)-pent-3-enyl]-1-benzofuran?
The InChIKey is YSEAISJCEBJBPG-SNAWJCMRSA-N. The full InChI is InChI=1S/C15H18O/c1-4-5-6-7-13-9-15-14(8-11(13)2)12(3)10-16-15/h4-5,8-10H,6-7H2,1-3H3/b5-4+.
What are the key properties of 3,5-dimethyl-6-[(E)-pent-3-enyl]-1-benzofuran?
3,5-dimethyl-6-[(E)-pent-3-enyl]-1-benzofuran has a molecular weight of 214.31 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-6-[(E)-pent-3-enyl]-1-benzofuran is sourced from PubChem (CID 5317317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).