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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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).