3-[2-(3,4-dimethoxyphenyl)prop-2-enyl]-1-benzothiophene

C19H18O2S — CID 141154304

IUPAC3-[2-(3,4-dimethoxyphenyl)prop-2-enyl]-1-benzothiophene
SMILESC=C(Cc1csc2ccccc12)c1ccc(OC)c(OC)c1
InChIInChI=1S/C19H18O2S/c1-13(14-8-9-17(20-2)18(11-14)21-3)10-15-12-22-19-7-5-4-6-16(15)19/h4-9,11-12H,1,10H2,2-3H3
InChIKeyWIYQWGJTCAEXTP-UHFFFAOYSA-N
MW310.42 g/mol
LogP5.17
Rot. Bonds5

About 3-[2-(3,4-dimethoxyphenyl)prop-2-enyl]-1-benzothiophene

3-[2-(3,4-dimethoxyphenyl)prop-2-enyl]-1-benzothiophene (PubChem CID 141154304) has the molecular formula C19H18O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is 3-[2-(3,4-dimethoxyphenyl)prop-2-enyl]-1-benzothiophene.

Molecular Properties

Compound Name3-[2-(3,4-dimethoxyphenyl)prop-2-enyl]-1-benzothiophene
PubChem CID141154304
Molecular FormulaC19H18O2S
Molecular Weight310.42 g/mol
Exact Mass310.10
IUPAC Name3-[2-(3,4-dimethoxyphenyl)prop-2-enyl]-1-benzothiophene
SMILESC=C(Cc1csc2ccccc12)c1ccc(OC)c(OC)c1
InChIInChI=1S/C19H18O2S/c1-13(14-8-9-17(20-2)18(11-14)21-3)10-15-12-22-19-7-5-4-6-16(15)19/h4-9,11-12H,1,10H2,2-3H3
InChIKeyWIYQWGJTCAEXTP-UHFFFAOYSA-N
XLogP5.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.42
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[2-(3,4-dimethoxyphenyl)prop-2-enyl]-1-benzothiophene 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-(1-benzothiophen-3-yl)-1-(4-fluoro-3-methoxyphenyl)ethanone
CID 114965683
9-chloro-10-[2-(3,4-dimethoxyphenyl)prop-2-enyl]anthracene
CID 141154302
3-[(2-methoxyphenoxy)methyl]-1-benzothiophene
CID 117170894
1-benzothiophen-3-ylmethyl 2-[(3,4-dimethoxybenzoyl)amino]acetate
CID 55885872
N-(1-benzothiophen-3-ylmethyl)-3,4-dimethoxyaniline
CID 60962379
4-(1-benzothiophen-3-ylmethoxy)-3-methoxyaniline
CID 63744670
N-[2-[2-(1-benzothiophen-3-ylmethyl)hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 90062100
2-[2-(3,4-dimethoxyphenyl)prop-2-enyl]-1H-pyrrole
CID 141154301
N-(1-benzothiophen-3-ylmethyl)-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide
CID 55785516
2-(1-benzothiophen-3-yl)-1-(3-methoxyphenyl)ethanone
CID 63739162
N-[2-(1-benzothiophen-3-yl)-2-oxoethyl]-4-(3,4-dimethoxyphenyl)-4-oxobutanamide
CID 159666218
[2-(1-benzothiophen-3-ylmethoxy)-3-methoxyphenyl]methanamine
CID 63743487

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4-dimethoxyphenyl)prop-2-enyl]-1-benzothiophene?
The IUPAC name of 3-[2-(3,4-dimethoxyphenyl)prop-2-enyl]-1-benzothiophene (CID 141154304) is 3-[2-(3,4-dimethoxyphenyl)prop-2-enyl]-1-benzothiophene.
What is the SMILES notation for 3-[2-(3,4-dimethoxyphenyl)prop-2-enyl]-1-benzothiophene?
The canonical SMILES for 3-[2-(3,4-dimethoxyphenyl)prop-2-enyl]-1-benzothiophene is C=C(Cc1csc2ccccc12)c1ccc(OC)c(OC)c1.
What is the InChIKey of 3-[2-(3,4-dimethoxyphenyl)prop-2-enyl]-1-benzothiophene?
The InChIKey is WIYQWGJTCAEXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O2S/c1-13(14-8-9-17(20-2)18(11-14)21-3)10-15-12-22-19-7-5-4-6-16(15)19/h4-9,11-12H,1,10H2,2-3H3.
What are the key properties of 3-[2-(3,4-dimethoxyphenyl)prop-2-enyl]-1-benzothiophene?
3-[2-(3,4-dimethoxyphenyl)prop-2-enyl]-1-benzothiophene has a molecular weight of 310.42 g/mol, XLogP of 5.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,4-dimethoxyphenyl)prop-2-enyl]-1-benzothiophene is sourced from PubChem (CID 141154304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).