3-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[(E)-2-(4-methylphenyl)ethenyl]-1-benzofuran

C26H22O2 — CID 102284965

IUPAC3-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[(E)-2-(4-methylphenyl)ethenyl]-1-benzofuran
SMILESCOc1ccc(/C=C/c2c(/C=C/c3ccc(C)cc3)oc3ccccc23)cc1
InChIInChI=1S/C26H22O2/c1-19-7-9-20(10-8-19)14-18-26-24(23-5-3-4-6-25(23)28-26)17-13-21-11-15-22(27-2)16-12-21/h3-18H,1-2H3/b17-13+,18-14+
InChIKeyCNMBRIKKXSNRND-HBKJEHTGSA-N
MW366.46 g/mol
LogP7.09
Rot. Bonds5

About 3-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[(E)-2-(4-methylphenyl)ethenyl]-1-benzofuran

3-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[(E)-2-(4-methylphenyl)ethenyl]-1-benzofuran (PubChem CID 102284965) has the molecular formula C26H22O2 and a molecular weight of 366.46 g/mol. Its IUPAC name is 3-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[(E)-2-(4-methylphenyl)ethenyl]-1-benzofuran.

Molecular Properties

Compound Name3-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[(E)-2-(4-methylphenyl)ethenyl]-1-benzofuran
PubChem CID102284965
Molecular FormulaC26H22O2
Molecular Weight366.46 g/mol
Exact Mass366.16
IUPAC Name3-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[(E)-2-(4-methylphenyl)ethenyl]-1-benzofuran
SMILESCOc1ccc(/C=C/c2c(/C=C/c3ccc(C)cc3)oc3ccccc23)cc1
InChIInChI=1S/C26H22O2/c1-19-7-9-20(10-8-19)14-18-26-24(23-5-3-4-6-25(23)28-26)17-13-21-11-15-22(27-2)16-12-21/h3-18H,1-2H3/b17-13+,18-14+
InChIKeyCNMBRIKKXSNRND-HBKJEHTGSA-N
XLogP7.09
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.46
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(E)-2-(furan-2-yl)ethenyl]-2-[(E)-2-(4-methylphenyl)ethenyl]-1-benzofuran
CID 102284966
2-butyl-3-[(E)-2-(4-methoxyphenyl)ethenyl]-1-benzofuran
CID 23445662
4-methyl-3-[(E)-2-(4-methylphenyl)ethenyl]chromen-2-one
CID 102021642
2-[2-(4-methoxyphenyl)ethenyl]-1,3-benzoxazin-4-one
CID 3122852
2-(4-methoxyphenyl)-1-benzofuran-3-carbaldehyde
CID 12550686
4-[2-(3-methoxy-1-benzofuran-2-yl)ethenyl]-N-methylaniline
CID 91347052
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
2-[2-(4-methylphenyl)ethenyl]-1,3-benzoxazin-4-one
CID 4885938
2-[2-(4-methoxyphenyl)ethenyl]-1,3,5-trimethylbenzene
CID 69464209
1-methoxy-4-[2-[4-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 54482883
2-[3-(4-methoxyphenyl)prop-2-enyl]chromen-4-one
CID 70138614
1-[(Z)-2-bromoethenyl]-4-methoxybenzene
CID 6166616

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[(E)-2-(4-methylphenyl)ethenyl]-1-benzofuran?
The IUPAC name of 3-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[(E)-2-(4-methylphenyl)ethenyl]-1-benzofuran (CID 102284965) is 3-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[(E)-2-(4-methylphenyl)ethenyl]-1-benzofuran.
What is the SMILES notation for 3-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[(E)-2-(4-methylphenyl)ethenyl]-1-benzofuran?
The canonical SMILES for 3-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[(E)-2-(4-methylphenyl)ethenyl]-1-benzofuran is COc1ccc(/C=C/c2c(/C=C/c3ccc(C)cc3)oc3ccccc23)cc1.
What is the InChIKey of 3-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[(E)-2-(4-methylphenyl)ethenyl]-1-benzofuran?
The InChIKey is CNMBRIKKXSNRND-HBKJEHTGSA-N. The full InChI is InChI=1S/C26H22O2/c1-19-7-9-20(10-8-19)14-18-26-24(23-5-3-4-6-25(23)28-26)17-13-21-11-15-22(27-2)16-12-21/h3-18H,1-2H3/b17-13+,18-14+.
What are the key properties of 3-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[(E)-2-(4-methylphenyl)ethenyl]-1-benzofuran?
3-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[(E)-2-(4-methylphenyl)ethenyl]-1-benzofuran has a molecular weight of 366.46 g/mol, XLogP of 7.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[(E)-2-(4-methylphenyl)ethenyl]-1-benzofuran is sourced from PubChem (CID 102284965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).