4-(hydroxymethyl)-5-methyl-1-benzothiophen-3-ol

C10H10O2S — CID 131014621

IUPAC4-(hydroxymethyl)-5-methyl-1-benzothiophen-3-ol
SMILESCc1ccc2scc(O)c2c1CO
InChIInChI=1S/C10H10O2S/c1-6-2-3-9-10(7(6)4-11)8(12)5-13-9/h2-3,5,11-12H,4H2,1H3
InChIKeyOUXNODDPZFVWNM-UHFFFAOYSA-N
MW194.25 g/mol
LogP2.41
Rot. Bonds1

About 4-(hydroxymethyl)-5-methyl-1-benzothiophen-3-ol

4-(hydroxymethyl)-5-methyl-1-benzothiophen-3-ol (PubChem CID 131014621) has the molecular formula C10H10O2S and a molecular weight of 194.25 g/mol. Its IUPAC name is 4-(hydroxymethyl)-5-methyl-1-benzothiophen-3-ol.

Molecular Properties

Compound Name4-(hydroxymethyl)-5-methyl-1-benzothiophen-3-ol
PubChem CID131014621
Molecular FormulaC10H10O2S
Molecular Weight194.25 g/mol
Exact Mass194.04
IUPAC Name4-(hydroxymethyl)-5-methyl-1-benzothiophen-3-ol
SMILESCc1ccc2scc(O)c2c1CO
InChIInChI=1S/C10H10O2S/c1-6-2-3-9-10(7(6)4-11)8(12)5-13-9/h2-3,5,11-12H,4H2,1H3
InChIKeyOUXNODDPZFVWNM-UHFFFAOYSA-N
XLogP2.41
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(hydroxymethyl)-3-sulfanyl-1-benzothiophen-5-ol
CID 130827061
3,5-dimethyl-1-benzothiophen-4-ol
CID 91882001
2-(3,5-dimethyl-1-benzothiophen-4-yl)acetic acid
CID 91881999
2-(hydroxymethyl)-3-methylphenol
CID 10997099
4-bromo-3-methyl-1-benzothiophen-5-ol
CID 131096785
acetic acid;2,3-bis(hydroxymethyl)-4-methylphenol
CID 70372315
5-fluoro-4-iodo-1-benzothiophen-3-ol
CID 131057300
6-amino-4-methyl-1-benzothiophen-3-ol
CID 130878558
(2-amino-3,6-dimethylphenyl)methanol
CID 57370658
3-bromo-4,5-dimethyl-1-benzothiophene
CID 82387657
6-bromo-4-(hydroxymethyl)-1-benzothiophen-3-ol
CID 130970840
2,4-bis(hydroxymethyl)-3,5-dimethylphenol
CID 71367739

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-5-methyl-1-benzothiophen-3-ol?
The IUPAC name of 4-(hydroxymethyl)-5-methyl-1-benzothiophen-3-ol (CID 131014621) is 4-(hydroxymethyl)-5-methyl-1-benzothiophen-3-ol.
What is the SMILES notation for 4-(hydroxymethyl)-5-methyl-1-benzothiophen-3-ol?
The canonical SMILES for 4-(hydroxymethyl)-5-methyl-1-benzothiophen-3-ol is Cc1ccc2scc(O)c2c1CO.
What is the InChIKey of 4-(hydroxymethyl)-5-methyl-1-benzothiophen-3-ol?
The InChIKey is OUXNODDPZFVWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2S/c1-6-2-3-9-10(7(6)4-11)8(12)5-13-9/h2-3,5,11-12H,4H2,1H3.
What are the key properties of 4-(hydroxymethyl)-5-methyl-1-benzothiophen-3-ol?
4-(hydroxymethyl)-5-methyl-1-benzothiophen-3-ol has a molecular weight of 194.25 g/mol, XLogP of 2.41, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-5-methyl-1-benzothiophen-3-ol is sourced from PubChem (CID 131014621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).