7-(hydroxymethyl)-5-methoxy-1-benzothiophen-3-ol

C10H10O3S — CID 131001186

IUPAC7-(hydroxymethyl)-5-methoxy-1-benzothiophen-3-ol
SMILESCOc1cc(CO)c2scc(O)c2c1
InChIInChI=1S/C10H10O3S/c1-13-7-2-6(4-11)10-8(3-7)9(12)5-14-10/h2-3,5,11-12H,4H2,1H3
InChIKeyBHPDDDDYMZYVOH-UHFFFAOYSA-N
MW210.25 g/mol
LogP2.11
Rot. Bonds2

About 7-(hydroxymethyl)-5-methoxy-1-benzothiophen-3-ol

7-(hydroxymethyl)-5-methoxy-1-benzothiophen-3-ol (PubChem CID 131001186) has the molecular formula C10H10O3S and a molecular weight of 210.25 g/mol. Its IUPAC name is 7-(hydroxymethyl)-5-methoxy-1-benzothiophen-3-ol.

Molecular Properties

Compound Name7-(hydroxymethyl)-5-methoxy-1-benzothiophen-3-ol
PubChem CID131001186
Molecular FormulaC10H10O3S
Molecular Weight210.25 g/mol
Exact Mass210.04
IUPAC Name7-(hydroxymethyl)-5-methoxy-1-benzothiophen-3-ol
SMILESCOc1cc(CO)c2scc(O)c2c1
InChIInChI=1S/C10H10O3S/c1-13-7-2-6(4-11)10-8(3-7)9(12)5-14-10/h2-3,5,11-12H,4H2,1H3
InChIKeyBHPDDDDYMZYVOH-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-7-sulfanyl-1-benzothiophen-3-ol
CID 131196100
[2,3-bis(hydroxymethyl)-5-methoxyphenyl]methanol
CID 90759523
7-ethyl-1-benzothiophene-3,5-diol
CID 130785990
2-(1-hydroxyethyl)-3-(hydroxymethyl)-5-methoxyphenol
CID 130036156
(2,3-dibromo-5-methoxyphenyl)methanol
CID 171002427
6-(hydroxymethyl)-7-iodo-1-benzothiophen-3-ol
CID 130961297
7-(hydroxymethyl)-4-sulfanyl-1-benzothiophen-5-ol
CID 131196046
3,7-diiodo-5-methoxy-1-benzothiophene
CID 130866328
(2-chloro-3-iodo-5-methoxyphenyl)methanol
CID 171003289
5-(hydroxymethyl)-3,4-dimethoxy-2-methylphenol
CID 102196644
7-(hydroxymethyl)-1-benzothiophene-3,4-diol
CID 130803250
4-methoxy-2,6-bis(methoxymethyl)phenol
CID 138470113

Frequently Asked Questions

What is the IUPAC name of 7-(hydroxymethyl)-5-methoxy-1-benzothiophen-3-ol?
The IUPAC name of 7-(hydroxymethyl)-5-methoxy-1-benzothiophen-3-ol (CID 131001186) is 7-(hydroxymethyl)-5-methoxy-1-benzothiophen-3-ol.
What is the SMILES notation for 7-(hydroxymethyl)-5-methoxy-1-benzothiophen-3-ol?
The canonical SMILES for 7-(hydroxymethyl)-5-methoxy-1-benzothiophen-3-ol is COc1cc(CO)c2scc(O)c2c1.
What is the InChIKey of 7-(hydroxymethyl)-5-methoxy-1-benzothiophen-3-ol?
The InChIKey is BHPDDDDYMZYVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3S/c1-13-7-2-6(4-11)10-8(3-7)9(12)5-14-10/h2-3,5,11-12H,4H2,1H3.
What are the key properties of 7-(hydroxymethyl)-5-methoxy-1-benzothiophen-3-ol?
7-(hydroxymethyl)-5-methoxy-1-benzothiophen-3-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 7-(hydroxymethyl)-5-methoxy-1-benzothiophen-3-ol is sourced from PubChem (CID 131001186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).