2-(hydroxymethyl)-7-methoxy-1-benzothiophen-4-ol

C10H10O3S — CID 130885124

IUPAC2-(hydroxymethyl)-7-methoxy-1-benzothiophen-4-ol
SMILESCOc1ccc(O)c2cc(CO)sc12
InChIInChI=1S/C10H10O3S/c1-13-9-3-2-8(12)7-4-6(5-11)14-10(7)9/h2-4,11-12H,5H2,1H3
InChIKeyJRWYGHMGVSSSGN-UHFFFAOYSA-N
MW210.25 g/mol
LogP2.11
Rot. Bonds2

About 2-(hydroxymethyl)-7-methoxy-1-benzothiophen-4-ol

2-(hydroxymethyl)-7-methoxy-1-benzothiophen-4-ol (PubChem CID 130885124) has the molecular formula C10H10O3S and a molecular weight of 210.25 g/mol. Its IUPAC name is 2-(hydroxymethyl)-7-methoxy-1-benzothiophen-4-ol.

Molecular Properties

Compound Name2-(hydroxymethyl)-7-methoxy-1-benzothiophen-4-ol
PubChem CID130885124
Molecular FormulaC10H10O3S
Molecular Weight210.25 g/mol
Exact Mass210.04
IUPAC Name2-(hydroxymethyl)-7-methoxy-1-benzothiophen-4-ol
SMILESCOc1ccc(O)c2cc(CO)sc12
InChIInChI=1S/C10H10O3S/c1-13-9-3-2-8(12)7-4-6(5-11)14-10(7)9/h2-4,11-12H,5H2,1H3
InChIKeyJRWYGHMGVSSSGN-UHFFFAOYSA-N
XLogP2.11
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-2-(hydroxymethyl)-1-benzothiophene-7-carbonitrile
CID 130792551
2-(bromomethyl)-7-methoxy-4-methyl-1-benzothiophene
CID 130805590
2-ethyl-7-methoxy-1-benzothiophen-6-ol
CID 131057609
2-(hydroxymethyl)-7-methylsulfanyl-1-benzothiophen-6-ol
CID 131057252
4,7-dimethoxy-2-methyl-1-benzothiophene
CID 22890914
(2-amino-6-methoxy-1-benzothiophen-7-yl)methanol
CID 130821048
2-(chloromethyl)-5-methoxy-1-benzothiophen-4-ol
CID 131034506
4,6-difluoro-7-methoxydibenzothiophen-3-ol
CID 131993041
4-methoxy-1-benzothiophen-7-ol
CID 119095255
2-(hydroxymethyl)-7-methyl-1-benzothiophen-5-ol
CID 130805249
(7-fluoro-4-methylsulfanyl-1-benzothiophen-2-yl)methanol
CID 131145556
(7-methyl-4-methylsulfanyl-1-benzothiophen-2-yl)methanol
CID 130821638

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-7-methoxy-1-benzothiophen-4-ol?
The IUPAC name of 2-(hydroxymethyl)-7-methoxy-1-benzothiophen-4-ol (CID 130885124) is 2-(hydroxymethyl)-7-methoxy-1-benzothiophen-4-ol.
What is the SMILES notation for 2-(hydroxymethyl)-7-methoxy-1-benzothiophen-4-ol?
The canonical SMILES for 2-(hydroxymethyl)-7-methoxy-1-benzothiophen-4-ol is COc1ccc(O)c2cc(CO)sc12.
What is the InChIKey of 2-(hydroxymethyl)-7-methoxy-1-benzothiophen-4-ol?
The InChIKey is JRWYGHMGVSSSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3S/c1-13-9-3-2-8(12)7-4-6(5-11)14-10(7)9/h2-4,11-12H,5H2,1H3.
What are the key properties of 2-(hydroxymethyl)-7-methoxy-1-benzothiophen-4-ol?
2-(hydroxymethyl)-7-methoxy-1-benzothiophen-4-ol has a molecular weight of 210.25 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-7-methoxy-1-benzothiophen-4-ol is sourced from PubChem (CID 130885124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).