4-[(E)-1,2-diphenylethenyl]-5-methyl-1-benzofuran

C23H18O — CID 102131163

IUPAC4-[(E)-1,2-diphenylethenyl]-5-methyl-1-benzofuran
SMILESCc1ccc2occc2c1/C(=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C23H18O/c1-17-12-13-22-20(14-15-24-22)23(17)21(19-10-6-3-7-11-19)16-18-8-4-2-5-9-18/h2-16H,1H3/b21-16+
InChIKeyXTMJWAVDXCBTIR-LTGZKZEYSA-N
MW310.40 g/mol
LogP6.33
Rot. Bonds3

About 4-[(E)-1,2-diphenylethenyl]-5-methyl-1-benzofuran

4-[(E)-1,2-diphenylethenyl]-5-methyl-1-benzofuran (PubChem CID 102131163) has the molecular formula C23H18O and a molecular weight of 310.40 g/mol. Its IUPAC name is 4-[(E)-1,2-diphenylethenyl]-5-methyl-1-benzofuran.

Molecular Properties

Compound Name4-[(E)-1,2-diphenylethenyl]-5-methyl-1-benzofuran
PubChem CID102131163
Molecular FormulaC23H18O
Molecular Weight310.40 g/mol
Exact Mass310.14
IUPAC Name4-[(E)-1,2-diphenylethenyl]-5-methyl-1-benzofuran
SMILESCc1ccc2occc2c1/C(=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C23H18O/c1-17-12-13-22-20(14-15-24-22)23(17)21(19-10-6-3-7-11-19)16-18-8-4-2-5-9-18/h2-16H,1H3/b21-16+
InChIKeyXTMJWAVDXCBTIR-LTGZKZEYSA-N
XLogP6.33
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.40
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-1,2-diphenylethenyl]-1,3,5-trimethylbenzene
CID 12611498
1,2-diphenylethenylbenzene;2-methylphenol
CID 159908422
CID 173126547
CID 173126547
1,2-diphenylethenylbenzene;furan
CID 175372951
1-[(E)-1,2-diphenylethenyl]-3,5-dimethylbenzene
CID 102283566
1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]-2,5-dimethylbenzene
CID 20678111
CID 172843956
CID 172843956
1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]benzene
CID 20678091
1-[(Z)-1,2-diphenylethenyl]-2,4-dimethylbenzene
CID 155936841
1-[(Z)-1,2-diphenylethenyl]-4-[4-[(Z)-1,2-diphenylethenyl]phenyl]benzene
CID 173002469
3-[(Z)-1,2-diphenylethenyl]-2,5-dimethylfuran
CID 12624786
2-[(E)-1,2-diphenylethenyl]-5-methyl-1,3-oxazole
CID 135014901

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-1,2-diphenylethenyl]-5-methyl-1-benzofuran?
The IUPAC name of 4-[(E)-1,2-diphenylethenyl]-5-methyl-1-benzofuran (CID 102131163) is 4-[(E)-1,2-diphenylethenyl]-5-methyl-1-benzofuran.
What is the SMILES notation for 4-[(E)-1,2-diphenylethenyl]-5-methyl-1-benzofuran?
The canonical SMILES for 4-[(E)-1,2-diphenylethenyl]-5-methyl-1-benzofuran is Cc1ccc2occc2c1/C(=C/c1ccccc1)c1ccccc1.
What is the InChIKey of 4-[(E)-1,2-diphenylethenyl]-5-methyl-1-benzofuran?
The InChIKey is XTMJWAVDXCBTIR-LTGZKZEYSA-N. The full InChI is InChI=1S/C23H18O/c1-17-12-13-22-20(14-15-24-22)23(17)21(19-10-6-3-7-11-19)16-18-8-4-2-5-9-18/h2-16H,1H3/b21-16+.
What are the key properties of 4-[(E)-1,2-diphenylethenyl]-5-methyl-1-benzofuran?
4-[(E)-1,2-diphenylethenyl]-5-methyl-1-benzofuran has a molecular weight of 310.40 g/mol, XLogP of 6.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-1,2-diphenylethenyl]-5-methyl-1-benzofuran is sourced from PubChem (CID 102131163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).