3-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-1-benzothiophene

C23H20O3S — CID 71608240

IUPAC3-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-1-benzothiophene
SMILESCOc1ccc(-c2sc3ccccc3c2-c2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C23H20O3S/c1-24-17-10-8-15(9-11-17)23-22(20-6-4-5-7-21(20)27-23)16-12-18(25-2)14-19(13-16)26-3/h4-14H,1-3H3
InChIKeyFGRMSUOKAZPBNM-UHFFFAOYSA-N
MW376.48 g/mol
LogP6.26
Rot. Bonds5

About 3-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-1-benzothiophene

3-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-1-benzothiophene (PubChem CID 71608240) has the molecular formula C23H20O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is 3-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-1-benzothiophene.

Molecular Properties

Compound Name3-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-1-benzothiophene
PubChem CID71608240
Molecular FormulaC23H20O3S
Molecular Weight376.48 g/mol
Exact Mass376.11
IUPAC Name3-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-1-benzothiophene
SMILESCOc1ccc(-c2sc3ccccc3c2-c2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C23H20O3S/c1-24-17-10-8-15(9-11-17)23-22(20-6-4-5-7-21(20)27-23)16-12-18(25-2)14-19(13-16)26-3/h4-14H,1-3H3
InChIKeyFGRMSUOKAZPBNM-UHFFFAOYSA-N
XLogP6.26
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.48
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-Methoxy-2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenoxy)-1-benzothiophene
CID 10253334
5-{Hydroxy-[6-methoxy-2-(3,4,5-trimethoxy-phenyl)-benzo[b]thiophen-3-yl]-methyl}-2-methoxy-phenol
CID 10814652
6-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1-benzothiophen-4-ol
CID 25131184
3-(4-Methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)thiophene
CID 53388353
(E)-3-(Benzo[b]thiophen-2-yl)-2-(3,4,5-trimethoxyphenyl)acrylonitrile
CID 54757474
(E)-3-(1-benzothiophen-2-yl)-2-(3,4,5-trimethoxyphenyl)prop-2-enenitrile
CID 86303307
(Z)-3-(1-benzothiophen-3-yl)-2-(3,4,5-trimethoxyphenyl)prop-2-enenitrile
CID 118731501
6-Methoxy-2-(4-methoxyphenyl)benzo[b]thiophene
CID 850941
4-[2-(4-Methoxyphenyl)-1-benzothiophen-3-yl]phenol
CID 25058310
ISUPSL-CHO-2-188b
CID 24792630
3-(3,4-Dimethoxyphenyl)-2-(2-methoxyphenyl)-1-benzothiophene
CID 24818799
4-methoxy-6-[(Z)-2-(4-methoxyphenyl)ethenyl]-1-benzothiophene
CID 25131859

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-1-benzothiophene?
The IUPAC name of 3-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-1-benzothiophene (CID 71608240) is 3-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-1-benzothiophene.
What is the SMILES notation for 3-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-1-benzothiophene?
The canonical SMILES for 3-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-1-benzothiophene is COc1ccc(-c2sc3ccccc3c2-c2cc(OC)cc(OC)c2)cc1.
What is the InChIKey of 3-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-1-benzothiophene?
The InChIKey is FGRMSUOKAZPBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O3S/c1-24-17-10-8-15(9-11-17)23-22(20-6-4-5-7-21(20)27-23)16-12-18(25-2)14-19(13-16)26-3/h4-14H,1-3H3.
What are the key properties of 3-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-1-benzothiophene?
3-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-1-benzothiophene has a molecular weight of 376.48 g/mol, XLogP of 6.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-1-benzothiophene is sourced from PubChem (CID 71608240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).