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

C25H24O6S — CID 10253334

IUPAC6-methoxy-2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenoxy)-1-benzothiophene
SMILESCOc1ccc(-c2sc3cc(OC)ccc3c2Oc2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C25H24O6S/c1-26-16-8-6-15(7-9-16)25-23(19-11-10-17(27-2)14-22(19)32-25)31-18-12-20(28-3)24(30-5)21(13-18)29-4/h6-14H,1-5H3
InChIKeyHTMUUKSTGMOPOD-UHFFFAOYSA-N
MW452.53 g/mol
LogP6.40
Rot. Bonds8

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

6-methoxy-2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenoxy)-1-benzothiophene (PubChem CID 10253334) has the molecular formula C25H24O6S and a molecular weight of 452.53 g/mol. Its IUPAC name is 6-methoxy-2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenoxy)-1-benzothiophene.

Molecular Properties

Compound Name6-methoxy-2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenoxy)-1-benzothiophene
PubChem CID10253334
Molecular FormulaC25H24O6S
Molecular Weight452.53 g/mol
Exact Mass452.13
IUPAC Name6-methoxy-2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenoxy)-1-benzothiophene
SMILESCOc1ccc(-c2sc3cc(OC)ccc3c2Oc2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C25H24O6S/c1-26-16-8-6-15(7-9-16)25-23(19-11-10-17(27-2)14-22(19)32-25)31-18-12-20(28-3)24(30-5)21(13-18)29-4/h6-14H,1-5H3
InChIKeyHTMUUKSTGMOPOD-UHFFFAOYSA-N
XLogP6.40
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.53
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-{Hydroxy-[6-methoxy-2-(3,4,5-trimethoxy-phenyl)-benzo[b]thiophen-3-yl]-methyl}-2-methoxy-phenol
CID 10814652
2-methyl-6-[(Z)-3-(3,4,5-trimethoxyphenyl)prop-2-enyl]-1-benzothiophen-4-ol
CID 44412187
2-methyl-6-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enyl]-1-benzothiophen-4-ol
CID 44412312
2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophene
CID 71463007
3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophene
CID 127038585
2-[1-(3,4,5-Trimethoxyphenyl)ethenyl]-1-benzothiophene
CID 127040593
2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophen-5-ol
CID 162653812
5-fluoro-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophene
CID 162662607
3-methyl-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophene
CID 162665727
2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophene
CID 71455845
(E)-3-[4-[[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]oxy]-2-methoxyphenyl]prop-2-enoic acid
CID 78323010
(4E,6E,10Z)-1-(1-benzothiophen-2-yl)-4-methyl-11-(3,4,5-trimethoxyphenyl)undeca-4,6,10-trien-1-ol
CID 10322846

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenoxy)-1-benzothiophene?
The IUPAC name of 6-methoxy-2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenoxy)-1-benzothiophene (CID 10253334) is 6-methoxy-2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenoxy)-1-benzothiophene.
What is the SMILES notation for 6-methoxy-2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenoxy)-1-benzothiophene?
The canonical SMILES for 6-methoxy-2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenoxy)-1-benzothiophene is COc1ccc(-c2sc3cc(OC)ccc3c2Oc2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of 6-methoxy-2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenoxy)-1-benzothiophene?
The InChIKey is HTMUUKSTGMOPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24O6S/c1-26-16-8-6-15(7-9-16)25-23(19-11-10-17(27-2)14-22(19)32-25)31-18-12-20(28-3)24(30-5)21(13-18)29-4/h6-14H,1-5H3.
What are the key properties of 6-methoxy-2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenoxy)-1-benzothiophene?
6-methoxy-2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenoxy)-1-benzothiophene has a molecular weight of 452.53 g/mol, XLogP of 6.40, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenoxy)-1-benzothiophene is sourced from PubChem (CID 10253334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).