2-ethenyl-4-methyl-3-[(Z)-prop-1-enyl]-1-benzofuran

C14H14O — CID 130336629

IUPAC2-ethenyl-4-methyl-3-[(Z)-prop-1-enyl]-1-benzofuran
SMILESC=Cc1oc2cccc(C)c2c1/C=C\C
InChIInChI=1S/C14H14O/c1-4-7-11-12(5-2)15-13-9-6-8-10(3)14(11)13/h4-9H,2H2,1,3H3/b7-4-
InChIKeyJKZSXYKOQBMBFK-DAXSKMNVSA-N
MW198.26 g/mol
LogP4.42
Rot. Bonds2

About 2-ethenyl-4-methyl-3-[(Z)-prop-1-enyl]-1-benzofuran

2-ethenyl-4-methyl-3-[(Z)-prop-1-enyl]-1-benzofuran (PubChem CID 130336629) has the molecular formula C14H14O and a molecular weight of 198.26 g/mol. Its IUPAC name is 2-ethenyl-4-methyl-3-[(Z)-prop-1-enyl]-1-benzofuran.

Molecular Properties

Compound Name2-ethenyl-4-methyl-3-[(Z)-prop-1-enyl]-1-benzofuran
PubChem CID130336629
Molecular FormulaC14H14O
Molecular Weight198.26 g/mol
Exact Mass198.10
IUPAC Name2-ethenyl-4-methyl-3-[(Z)-prop-1-enyl]-1-benzofuran
SMILESC=Cc1oc2cccc(C)c2c1/C=C\C
InChIInChI=1S/C14H14O/c1-4-7-11-12(5-2)15-13-9-6-8-10(3)14(11)13/h4-9H,2H2,1,3H3/b7-4-
InChIKeyJKZSXYKOQBMBFK-DAXSKMNVSA-N
XLogP4.42
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Benzofuran
CID 9223
Dibenzofuran
CID 568
Anthocyanins
CID 145858
2,3-Dimethylbenzofuran
CID 2734646
2-Methylbenzofuran
CID 20263
2-Acetylbenzofuran
CID 15435
2,5-Diphenylfuran
CID 70387
Benzo[b]furan-2-boronic acid
CID 2776266
6,7,8,9-Tetrahydro-2-dibenzofuranol
CID 121024
5-Methoxybenzofuran
CID 25943
Ethanone, 1-(3-methyl-2-benzofuranyl)-
CID 2507689
Benzo(b)naphtho(2,3-d)furan
CID 71072

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-4-methyl-3-[(Z)-prop-1-enyl]-1-benzofuran?
The IUPAC name of 2-ethenyl-4-methyl-3-[(Z)-prop-1-enyl]-1-benzofuran (CID 130336629) is 2-ethenyl-4-methyl-3-[(Z)-prop-1-enyl]-1-benzofuran.
What is the SMILES notation for 2-ethenyl-4-methyl-3-[(Z)-prop-1-enyl]-1-benzofuran?
The canonical SMILES for 2-ethenyl-4-methyl-3-[(Z)-prop-1-enyl]-1-benzofuran is C=Cc1oc2cccc(C)c2c1/C=C\C.
What is the InChIKey of 2-ethenyl-4-methyl-3-[(Z)-prop-1-enyl]-1-benzofuran?
The InChIKey is JKZSXYKOQBMBFK-DAXSKMNVSA-N. The full InChI is InChI=1S/C14H14O/c1-4-7-11-12(5-2)15-13-9-6-8-10(3)14(11)13/h4-9H,2H2,1,3H3/b7-4-.
What are the key properties of 2-ethenyl-4-methyl-3-[(Z)-prop-1-enyl]-1-benzofuran?
2-ethenyl-4-methyl-3-[(Z)-prop-1-enyl]-1-benzofuran has a molecular weight of 198.26 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-4-methyl-3-[(Z)-prop-1-enyl]-1-benzofuran is sourced from PubChem (CID 130336629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).