3-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]furan

C16H16O — CID 89143582

IUPAC3-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]furan
SMILESC/C=C\C(=C/C)c1ccc(-c2ccoc2)cc1
InChIInChI=1S/C16H16O/c1-3-5-13(4-2)14-6-8-15(9-7-14)16-10-11-17-12-16/h3-12H,1-2H3/b5-3-,13-4+
InChIKeyHRSFLGMINHIERJ-OHOMROLUSA-N
MW224.30 g/mol
LogP4.93
Rot. Bonds3

About 3-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]furan

3-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]furan (PubChem CID 89143582) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]furan.

Molecular Properties

Compound Name3-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]furan
PubChem CID89143582
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Name3-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]furan
SMILESC/C=C\C(=C/C)c1ccc(-c2ccoc2)cc1
InChIInChI=1S/C16H16O/c1-3-5-13(4-2)14-6-8-15(9-7-14)16-10-11-17-12-16/h3-12H,1-2H3/b5-3-,13-4+
InChIKeyHRSFLGMINHIERJ-OHOMROLUSA-N
XLogP4.93
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]furan 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-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]furan?
The IUPAC name of 3-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]furan (CID 89143582) is 3-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]furan.
What is the SMILES notation for 3-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]furan?
The canonical SMILES for 3-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]furan is C/C=C\C(=C/C)c1ccc(-c2ccoc2)cc1.
What is the InChIKey of 3-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]furan?
The InChIKey is HRSFLGMINHIERJ-OHOMROLUSA-N. The full InChI is InChI=1S/C16H16O/c1-3-5-13(4-2)14-6-8-15(9-7-14)16-10-11-17-12-16/h3-12H,1-2H3/b5-3-,13-4+.
What are the key properties of 3-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]furan?
3-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]furan has a molecular weight of 224.30 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]furan is sourced from PubChem (CID 89143582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).