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

C21H22O2 — CID 23445662

IUPAC2-butyl-3-[(E)-2-(4-methoxyphenyl)ethenyl]-1-benzofuran
SMILESCCCCc1oc2ccccc2c1/C=C/c1ccc(OC)cc1
InChIInChI=1S/C21H22O2/c1-3-4-8-20-19(18-7-5-6-9-21(18)23-20)15-12-16-10-13-17(22-2)14-11-16/h5-7,9-15H,3-4,8H2,1-2H3/b15-12+
InChIKeyPBGMVQSNVSZPKZ-NTCAYCPXSA-N
MW306.41 g/mol
LogP5.95
Rot. Bonds6

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

2-butyl-3-[(E)-2-(4-methoxyphenyl)ethenyl]-1-benzofuran (PubChem CID 23445662) has the molecular formula C21H22O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-butyl-3-[(E)-2-(4-methoxyphenyl)ethenyl]-1-benzofuran.

Molecular Properties

Compound Name2-butyl-3-[(E)-2-(4-methoxyphenyl)ethenyl]-1-benzofuran
PubChem CID23445662
Molecular FormulaC21H22O2
Molecular Weight306.41 g/mol
Exact Mass306.16
IUPAC Name2-butyl-3-[(E)-2-(4-methoxyphenyl)ethenyl]-1-benzofuran
SMILESCCCCc1oc2ccccc2c1/C=C/c1ccc(OC)cc1
InChIInChI=1S/C21H22O2/c1-3-4-8-20-19(18-7-5-6-9-21(18)23-20)15-12-16-10-13-17(22-2)14-11-16/h5-7,9-15H,3-4,8H2,1-2H3/b15-12+
InChIKeyPBGMVQSNVSZPKZ-NTCAYCPXSA-N
XLogP5.95
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.41
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[(E)-2-(4-methylphenyl)ethenyl]-1-benzofuran
CID 102284965
2-pentyl-1-benzofuran-3-carbaldehyde
CID 87462287
(2-butyl-1-benzofuran-3-yl)-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methanone
CID 10199471
3-(2-butyl-1-benzofuran-3-yl)-4-methoxybenzaldehyde
CID 163304136
3-(3-methylbuta-1,2-dienyl)-2-pentyl-1-benzofuran
CID 11054219
2-[2-(4-methoxyphenyl)ethenyl]-1,3-benzoxazin-4-one
CID 3122852
9,10-bis[(E)-2-(4-heptoxyphenyl)ethenyl]anthracene
CID 102099512
(3-butyl-1-benzofuran-2-yl)-(4-methoxyphenyl)methanone
CID 160606304
(2-butyl-1-benzofuran-3-yl)methanamine
CID 43492779
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
2-[3-(4-methoxyphenyl)prop-2-enyl]chromen-4-one
CID 70138614
N-[(2-butyl-1-benzofuran-3-yl)methyl]-3-methylpentan-3-amine
CID 106328362

Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-[(E)-2-(4-methoxyphenyl)ethenyl]-1-benzofuran?
The IUPAC name of 2-butyl-3-[(E)-2-(4-methoxyphenyl)ethenyl]-1-benzofuran (CID 23445662) is 2-butyl-3-[(E)-2-(4-methoxyphenyl)ethenyl]-1-benzofuran.
What is the SMILES notation for 2-butyl-3-[(E)-2-(4-methoxyphenyl)ethenyl]-1-benzofuran?
The canonical SMILES for 2-butyl-3-[(E)-2-(4-methoxyphenyl)ethenyl]-1-benzofuran is CCCCc1oc2ccccc2c1/C=C/c1ccc(OC)cc1.
What is the InChIKey of 2-butyl-3-[(E)-2-(4-methoxyphenyl)ethenyl]-1-benzofuran?
The InChIKey is PBGMVQSNVSZPKZ-NTCAYCPXSA-N. The full InChI is InChI=1S/C21H22O2/c1-3-4-8-20-19(18-7-5-6-9-21(18)23-20)15-12-16-10-13-17(22-2)14-11-16/h5-7,9-15H,3-4,8H2,1-2H3/b15-12+.
What are the key properties of 2-butyl-3-[(E)-2-(4-methoxyphenyl)ethenyl]-1-benzofuran?
2-butyl-3-[(E)-2-(4-methoxyphenyl)ethenyl]-1-benzofuran has a molecular weight of 306.41 g/mol, XLogP of 5.95, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-[(E)-2-(4-methoxyphenyl)ethenyl]-1-benzofuran is sourced from PubChem (CID 23445662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).