4-[5,6-dimethoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]phenol

C23H20O4S — CID 25058340

IUPAC4-[5,6-dimethoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]phenol
SMILESCOc1ccc(-c2sc3cc(OC)c(OC)cc3c2-c2ccc(O)cc2)cc1
InChIInChI=1S/C23H20O4S/c1-25-17-10-6-15(7-11-17)23-22(14-4-8-16(24)9-5-14)18-12-19(26-2)20(27-3)13-21(18)28-23/h4-13,24H,1-3H3
InChIKeyURSCNRXRKHZAJJ-UHFFFAOYSA-N
MW392.48 g/mol
LogP5.97
Rot. Bonds5

About 4-[5,6-dimethoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]phenol

4-[5,6-dimethoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]phenol (PubChem CID 25058340) has the molecular formula C23H20O4S and a molecular weight of 392.48 g/mol. Its IUPAC name is 4-[5,6-dimethoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]phenol.

Molecular Properties

Compound Name4-[5,6-dimethoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]phenol
PubChem CID25058340
Molecular FormulaC23H20O4S
Molecular Weight392.48 g/mol
Exact Mass392.11
IUPAC Name4-[5,6-dimethoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]phenol
SMILESCOc1ccc(-c2sc3cc(OC)c(OC)cc3c2-c2ccc(O)cc2)cc1
InChIInChI=1S/C23H20O4S/c1-25-17-10-6-15(7-11-17)23-22(14-4-8-16(24)9-5-14)18-12-19(26-2)20(27-3)13-21(18)28-23/h4-13,24H,1-3H3
InChIKeyURSCNRXRKHZAJJ-UHFFFAOYSA-N
XLogP5.97
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.48
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5,6-dimethoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]phenol?
The IUPAC name of 4-[5,6-dimethoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]phenol (CID 25058340) is 4-[5,6-dimethoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]phenol.
What is the SMILES notation for 4-[5,6-dimethoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]phenol?
The canonical SMILES for 4-[5,6-dimethoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]phenol is COc1ccc(-c2sc3cc(OC)c(OC)cc3c2-c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[5,6-dimethoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]phenol?
The InChIKey is URSCNRXRKHZAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O4S/c1-25-17-10-6-15(7-11-17)23-22(14-4-8-16(24)9-5-14)18-12-19(26-2)20(27-3)13-21(18)28-23/h4-13,24H,1-3H3.
What are the key properties of 4-[5,6-dimethoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]phenol?
4-[5,6-dimethoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]phenol has a molecular weight of 392.48 g/mol, XLogP of 5.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5,6-dimethoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]phenol is sourced from PubChem (CID 25058340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).