3-but-3-enyl-3-(4-fluorophenyl)-6-methyl-1H-2-benzofuran

C19H19FO — CID 20741990

IUPAC3-but-3-enyl-3-(4-fluorophenyl)-6-methyl-1H-2-benzofuran
SMILESC=CCCC1(c2ccc(F)cc2)OCc2cc(C)ccc21
InChIInChI=1S/C19H19FO/c1-3-4-11-19(16-6-8-17(20)9-7-16)18-10-5-14(2)12-15(18)13-21-19/h3,5-10,12H,1,4,11,13H2,2H3
InChIKeyOVHGZVRHMJRQDV-UHFFFAOYSA-N
MW282.36 g/mol
LogP4.87
Rot. Bonds4

About 3-but-3-enyl-3-(4-fluorophenyl)-6-methyl-1H-2-benzofuran

3-but-3-enyl-3-(4-fluorophenyl)-6-methyl-1H-2-benzofuran (PubChem CID 20741990) has the molecular formula C19H19FO and a molecular weight of 282.36 g/mol. Its IUPAC name is 3-but-3-enyl-3-(4-fluorophenyl)-6-methyl-1H-2-benzofuran.

Molecular Properties

Compound Name3-but-3-enyl-3-(4-fluorophenyl)-6-methyl-1H-2-benzofuran
PubChem CID20741990
Molecular FormulaC19H19FO
Molecular Weight282.36 g/mol
Exact Mass282.14
IUPAC Name3-but-3-enyl-3-(4-fluorophenyl)-6-methyl-1H-2-benzofuran
SMILESC=CCCC1(c2ccc(F)cc2)OCc2cc(C)ccc21
InChIInChI=1S/C19H19FO/c1-3-4-11-19(16-6-8-17(20)9-7-16)18-10-5-14(2)12-15(18)13-21-19/h3,5-10,12H,1,4,11,13H2,2H3
InChIKeyOVHGZVRHMJRQDV-UHFFFAOYSA-N
XLogP4.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-but-3-enyl-3-(4-fluorophenyl)-6-methyl-1H-2-benzofuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-Diphenyltetrahydrofuran
CID 70175
1-(4'-Fluorophenyl)-1,3-DihydroIsobenzofuran-5-Carbonitrile
CID 9856159
3-(1-(4-Fluorophenyl)-5-phenyl-1,3-dihydroisobenzofuran-1-yl)-N,N-dimethylpropan-1-amine
CID 46913907
rac-(E)-3-(1-(4-Fluorophenyl)-5-styryl-1,3-dihydroisobenzofuran-1-yl)-N,N-dimethylpropan-1-amine
CID 46914046
3-(1-(4-Fluorophenyl)-5-phenethyl-1,3-dihydroisobenzofuran-1-yl)-N,N-dimethylpropan-1-amine
CID 46914051
3-(5-(3-Fluorophenyl)-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-1-yl)-N,N-dimethylpropan-1-amine
CID 46914187
(R)-(-)-(E)-3-(1-(4-Fluorophenyl)-5-styryl-1,3-dihydroisobenzofuran-1-yl)-N,N-dimethylpropan-1-amine
CID 46914333
(S)-(+)-(E)-3-(1-(4-Fluorophenyl)-5-styryl-1,3-dihydroisobenzofuran-1-yl)-N,N-dimethylpropan-1-amine
CID 46914334
3-[1-(4-fluorophenyl)-5-[(E)-3-phenylprop-1-enyl]-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine
CID 72792491
(2S,3R,4S,5R)-3,4-dimethyl-2,5-bis(4-methylphenyl)oxolane
CID 145958819
2,2-Bis(4-fluorophenyl)tetrahydrofuran
CID 96739
3-[1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine
CID 9971966

Frequently Asked Questions

What is the IUPAC name of 3-but-3-enyl-3-(4-fluorophenyl)-6-methyl-1H-2-benzofuran?
The IUPAC name of 3-but-3-enyl-3-(4-fluorophenyl)-6-methyl-1H-2-benzofuran (CID 20741990) is 3-but-3-enyl-3-(4-fluorophenyl)-6-methyl-1H-2-benzofuran.
What is the SMILES notation for 3-but-3-enyl-3-(4-fluorophenyl)-6-methyl-1H-2-benzofuran?
The canonical SMILES for 3-but-3-enyl-3-(4-fluorophenyl)-6-methyl-1H-2-benzofuran is C=CCCC1(c2ccc(F)cc2)OCc2cc(C)ccc21.
What is the InChIKey of 3-but-3-enyl-3-(4-fluorophenyl)-6-methyl-1H-2-benzofuran?
The InChIKey is OVHGZVRHMJRQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FO/c1-3-4-11-19(16-6-8-17(20)9-7-16)18-10-5-14(2)12-15(18)13-21-19/h3,5-10,12H,1,4,11,13H2,2H3.
What are the key properties of 3-but-3-enyl-3-(4-fluorophenyl)-6-methyl-1H-2-benzofuran?
3-but-3-enyl-3-(4-fluorophenyl)-6-methyl-1H-2-benzofuran has a molecular weight of 282.36 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-3-enyl-3-(4-fluorophenyl)-6-methyl-1H-2-benzofuran is sourced from PubChem (CID 20741990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).