2-[(E)-but-2-enyl]-2,3-dihydro-1-benzofuran

C12H14O — CID 102067628

IUPAC2-[(E)-but-2-enyl]-2,3-dihydro-1-benzofuran
SMILESC/C=C/CC1Cc2ccccc2O1
InChIInChI=1S/C12H14O/c1-2-3-7-11-9-10-6-4-5-8-12(10)13-11/h2-6,8,11H,7,9H2,1H3/b3-2+
InChIKeyKOQGKQZLNNXINI-NSCUHMNNSA-N
MW174.24 g/mol
LogP2.96
Rot. Bonds2

About 2-[(E)-but-2-enyl]-2,3-dihydro-1-benzofuran

2-[(E)-but-2-enyl]-2,3-dihydro-1-benzofuran (PubChem CID 102067628) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 2-[(E)-but-2-enyl]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name2-[(E)-but-2-enyl]-2,3-dihydro-1-benzofuran
PubChem CID102067628
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name2-[(E)-but-2-enyl]-2,3-dihydro-1-benzofuran
SMILESC/C=C/CC1Cc2ccccc2O1
InChIInChI=1S/C12H14O/c1-2-3-7-11-9-10-6-4-5-8-12(10)13-11/h2-6,8,11H,7,9H2,1H3/b3-2+
InChIKeyKOQGKQZLNNXINI-NSCUHMNNSA-N
XLogP2.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(2,3-dihydro-1-benzofuran-2-yl)prop-1-en-1-amine
CID 70406652
2-[(E)-but-2-enyl]-2,3-dihydrochromen-4-one
CID 19036544
1-(2,3-dihydro-1-benzofuran-2-yl)-N,N-dimethylmethanamine
CID 2842479
2,3-dihydro-1-benzofuran-2-ylmethyl(trimethyl)azanium
CID 3112651
2-(methylsulfanylmethyl)-2,3-dihydro-1-benzofuran
CID 12872573
3-(2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 66363440
4-(2,3-dihydro-1-benzofuran-2-yl)-3-methylbutan-2-ol
CID 66363239
2-(2-chloroethyl)-2,3-dihydro-1-benzofuran
CID 141218488
2,3-dihydro-1-benzofuran-2-ylmethyl(dimethyl)azanium chloride
CID 44658129
[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl-ethylazanium
CID 7071467
2-(3-chloro-2-methylpentyl)-2,3-dihydro-1-benzofuran
CID 66363434
3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methylpentan-2-ol
CID 66363821

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-but-2-enyl]-2,3-dihydro-1-benzofuran?
The IUPAC name of 2-[(E)-but-2-enyl]-2,3-dihydro-1-benzofuran (CID 102067628) is 2-[(E)-but-2-enyl]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 2-[(E)-but-2-enyl]-2,3-dihydro-1-benzofuran?
The canonical SMILES for 2-[(E)-but-2-enyl]-2,3-dihydro-1-benzofuran is C/C=C/CC1Cc2ccccc2O1.
What is the InChIKey of 2-[(E)-but-2-enyl]-2,3-dihydro-1-benzofuran?
The InChIKey is KOQGKQZLNNXINI-NSCUHMNNSA-N. The full InChI is InChI=1S/C12H14O/c1-2-3-7-11-9-10-6-4-5-8-12(10)13-11/h2-6,8,11H,7,9H2,1H3/b3-2+.
What are the key properties of 2-[(E)-but-2-enyl]-2,3-dihydro-1-benzofuran?
2-[(E)-but-2-enyl]-2,3-dihydro-1-benzofuran has a molecular weight of 174.24 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-but-2-enyl]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 102067628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).