3,5-dimethoxy-1-benzothiophen-2-ol

C10H10O3S — CID 131098457

IUPAC3,5-dimethoxy-1-benzothiophen-2-ol
SMILESCOc1ccc2sc(O)c(OC)c2c1
InChIInChI=1S/C10H10O3S/c1-12-6-3-4-8-7(5-6)9(13-2)10(11)14-8/h3-5,11H,1-2H3
InChIKeyYTOVXLNHZATCGX-UHFFFAOYSA-N
MW210.25 g/mol
LogP2.62
Rot. Bonds2

About 3,5-dimethoxy-1-benzothiophen-2-ol

3,5-dimethoxy-1-benzothiophen-2-ol (PubChem CID 131098457) has the molecular formula C10H10O3S and a molecular weight of 210.25 g/mol. Its IUPAC name is 3,5-dimethoxy-1-benzothiophen-2-ol.

Molecular Properties

Compound Name3,5-dimethoxy-1-benzothiophen-2-ol
PubChem CID131098457
Molecular FormulaC10H10O3S
Molecular Weight210.25 g/mol
Exact Mass210.04
IUPAC Name3,5-dimethoxy-1-benzothiophen-2-ol
SMILESCOc1ccc2sc(O)c(OC)c2c1
InChIInChI=1S/C10H10O3S/c1-12-6-3-4-8-7(5-6)9(13-2)10(11)14-8/h3-5,11H,1-2H3
InChIKeyYTOVXLNHZATCGX-UHFFFAOYSA-N
XLogP2.62
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethoxy-1-benzothiophene-2-carbothioamide
CID 139771246
5-methoxy-2,3-dimethyl-1-benzothiophene
CID 58777526
3-bromo-2,5-dimethoxy-1-benzothiophene
CID 130866034
2-ethoxy-8-methoxydibenzothiophene
CID 172565133
methyl 3-chloro-5-methoxy-1-benzothiophene-2-carboxylate
CID 2801561
(2-amino-5-methoxy-1-benzothiophen-3-yl)methanol
CID 130855217
5-methoxy-3-methyl-1-benzothiophene;3-methyl-1-benzothiophen-5-ol
CID 159990701
methyl 5-methoxy-3-[(2-methylpropan-2-yl)oxy]-1-benzothiophene-2-carboxylate
CID 15131063
2-methoxy-8-(trifluoromethyl)dibenzothiophene
CID 46873336
4-[5-methoxy-2-(4-methylsulfanylphenyl)-1-benzothiophen-3-yl]phenol
CID 25058332
2-chloro-3-(chloromethyl)-5-methoxy-1-benzothiophene
CID 130926294
3-bromo-5-methoxy-2-methylsulfanyl-1-benzothiophene
CID 131146119

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-1-benzothiophen-2-ol?
The IUPAC name of 3,5-dimethoxy-1-benzothiophen-2-ol (CID 131098457) is 3,5-dimethoxy-1-benzothiophen-2-ol.
What is the SMILES notation for 3,5-dimethoxy-1-benzothiophen-2-ol?
The canonical SMILES for 3,5-dimethoxy-1-benzothiophen-2-ol is COc1ccc2sc(O)c(OC)c2c1.
What is the InChIKey of 3,5-dimethoxy-1-benzothiophen-2-ol?
The InChIKey is YTOVXLNHZATCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3S/c1-12-6-3-4-8-7(5-6)9(13-2)10(11)14-8/h3-5,11H,1-2H3.
What are the key properties of 3,5-dimethoxy-1-benzothiophen-2-ol?
3,5-dimethoxy-1-benzothiophen-2-ol has a molecular weight of 210.25 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-1-benzothiophen-2-ol is sourced from PubChem (CID 131098457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).