2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-1-benzofuran

C18H16O — CID 122221854

IUPAC2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-1-benzofuran
SMILESCc1ccc(C)c(/C=C/c2cc3ccccc3o2)c1
InChIInChI=1S/C18H16O/c1-13-7-8-14(2)15(11-13)9-10-17-12-16-5-3-4-6-18(16)19-17/h3-12H,1-2H3/b10-9+
InChIKeyIHWMKVCBKUENIR-MDZDMXLPSA-N
MW248.32 g/mol
LogP5.22
Rot. Bonds2

About 2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-1-benzofuran

2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-1-benzofuran (PubChem CID 122221854) has the molecular formula C18H16O and a molecular weight of 248.32 g/mol. Its IUPAC name is 2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-1-benzofuran.

Molecular Properties

Compound Name2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-1-benzofuran
PubChem CID122221854
Molecular FormulaC18H16O
Molecular Weight248.32 g/mol
Exact Mass248.12
IUPAC Name2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-1-benzofuran
SMILESCc1ccc(C)c(/C=C/c2cc3ccccc3o2)c1
InChIInChI=1S/C18H16O/c1-13-7-8-14(2)15(11-13)9-10-17-12-16-5-3-4-6-18(16)19-17/h3-12H,1-2H3/b10-9+
InChIKeyIHWMKVCBKUENIR-MDZDMXLPSA-N
XLogP5.22
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.32
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-[4-[2-(2,5-dimethylphenyl)ethenyl]phenyl]ethenyl]-1,4-dimethylbenzene
CID 71374373
(E)-4-(1-benzofuran-2-yl)-N-methylbut-3-en-1-amine
CID 114735264
2-ethenyl-1-benzofuran
CID 588974
1-benzofuran-2-carbaldehyde;methanamine
CID 143075109
methyl 3-(1-benzofuran-2-yl)prop-2-enoate
CID 1479261
2-ethenyl-6-methyl-1-benzofuran
CID 142567600
1-benzofuran-2-yl-(5-methyl-1-benzofuran-2-yl)methanamine
CID 63326539
2-[2-(3,4-dimethoxyphenyl)ethenyl]-6-methyl-1-benzofuran
CID 67059528
1,4-dimethyl-2-[(Z)-3-methylbut-1-enyl]benzene
CID 143887772
(E)-3-(1-benzofuran-2-yl)-2-methylprop-2-enenitrile
CID 18339198
2-(3-bromo-2-methylprop-1-enyl)-1-benzofuran
CID 79322987
3-(1-benzofuran-2-yl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]prop-2-enamide
CID 74633280

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-1-benzofuran?
The IUPAC name of 2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-1-benzofuran (CID 122221854) is 2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-1-benzofuran.
What is the SMILES notation for 2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-1-benzofuran?
The canonical SMILES for 2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-1-benzofuran is Cc1ccc(C)c(/C=C/c2cc3ccccc3o2)c1.
What is the InChIKey of 2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-1-benzofuran?
The InChIKey is IHWMKVCBKUENIR-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H16O/c1-13-7-8-14(2)15(11-13)9-10-17-12-16-5-3-4-6-18(16)19-17/h3-12H,1-2H3/b10-9+.
What are the key properties of 2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-1-benzofuran?
2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-1-benzofuran has a molecular weight of 248.32 g/mol, XLogP of 5.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-1-benzofuran is sourced from PubChem (CID 122221854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).