6-methoxy-2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1-benzothiophene

C25H24O5S — CID 10741585

IUPAC6-methoxy-2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1-benzothiophene
SMILESCOc1ccc(-c2sc3cc(OC)ccc3c2-c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C25H24O5S/c1-26-17-8-6-15(7-9-17)25-23(19-11-10-18(27-2)14-22(19)31-25)16-12-20(28-3)24(30-5)21(13-16)29-4/h6-14H,1-5H3
InChIKeyVAHJWLUBZFHKQQ-UHFFFAOYSA-N
MW436.53 g/mol
LogP6.28
Rot. Bonds7

About 6-methoxy-2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1-benzothiophene

6-methoxy-2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1-benzothiophene (PubChem CID 10741585) has the molecular formula C25H24O5S and a molecular weight of 436.53 g/mol. Its IUPAC name is 6-methoxy-2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1-benzothiophene.

Molecular Properties

Compound Name6-methoxy-2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1-benzothiophene
PubChem CID10741585
Molecular FormulaC25H24O5S
Molecular Weight436.53 g/mol
Exact Mass436.13
IUPAC Name6-methoxy-2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1-benzothiophene
SMILESCOc1ccc(-c2sc3cc(OC)ccc3c2-c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C25H24O5S/c1-26-17-8-6-15(7-9-17)25-23(19-11-10-18(27-2)14-22(19)31-25)16-12-20(28-3)24(30-5)21(13-16)29-4/h6-14H,1-5H3
InChIKeyVAHJWLUBZFHKQQ-UHFFFAOYSA-N
XLogP6.28
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.53
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-methoxy-2,3-diphenyl-1-benzothiophene
CID 13013583
3-iodo-6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene
CID 11326918
3-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-1-benzothiophene
CID 71608240
(4-ethoxy-3,5-dimethoxyphenyl)-[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]methanone
CID 18318589
2-(4-methoxyphenyl)-3-(4-methylphenyl)-1-benzothiophene
CID 102299533
methyl 6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene-3-carboxylate
CID 54390123
3-(4-bromophenoxy)-6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene
CID 86730652
5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)dithiol-3-imine
CID 143768925
3-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)thiophene
CID 53388353
5-[2-(3,4,5-trimethoxyphenyl)-1-benzothiophen-3-yl]pyrimidine
CID 154723415
3-(4-fluorophenyl)-6-methoxy-2-(4-methoxyphenoxy)-1-benzothiophene
CID 90111334
7-methoxy-2-(4-methylphenyl)thiochromen-4-one
CID 154713863

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1-benzothiophene?
The IUPAC name of 6-methoxy-2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1-benzothiophene (CID 10741585) is 6-methoxy-2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1-benzothiophene.
What is the SMILES notation for 6-methoxy-2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1-benzothiophene?
The canonical SMILES for 6-methoxy-2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1-benzothiophene is COc1ccc(-c2sc3cc(OC)ccc3c2-c2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of 6-methoxy-2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1-benzothiophene?
The InChIKey is VAHJWLUBZFHKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24O5S/c1-26-17-8-6-15(7-9-17)25-23(19-11-10-18(27-2)14-22(19)31-25)16-12-20(28-3)24(30-5)21(13-16)29-4/h6-14H,1-5H3.
What are the key properties of 6-methoxy-2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1-benzothiophene?
6-methoxy-2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1-benzothiophene has a molecular weight of 436.53 g/mol, XLogP of 6.28, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1-benzothiophene is sourced from PubChem (CID 10741585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).