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

5-[2-ethenyl-1-[(Z)-prop-1-enyl]-[1]benzofuro[3,2-e][1]benzofuran-9-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 167256599
2-ethenyl-5-methyl-3,4-bis[(Z)-prop-1-enyl]furan
CID 142510186
9-ethenyl-1-methyl-10-[(Z)-prop-1-enyl]phenanthrene
CID 153357607
2-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]-6-methylpyridine
CID 166654735
2-ethenyl-5-propan-2-yl-3-[(Z)-prop-1-enyl]-1-benzofuran
CID 144612981
[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]boronic acid
CID 144640440
N-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 166906795
1,3-dimethyl-2-[(Z)-prop-1-enyl]benzene;2-methylpropane
CID 143961291
11-ethenyl-13-ethylidene-12-methyl-10-oxatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8,11-hexaene
CID 123317264
1-ethenyl-2-[(Z)-prop-1-enyl]benzo[e][1]benzofuran
CID 134365271
4-tert-butyl-3-methyl-2-[(Z)-prop-1-enyl]-1-benzofuran
CID 167164407
7-bromo-5-ethenyl-6-[(Z)-prop-1-enyl]naphtho[1,2-b][1]benzofuran
CID 145373970

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).