3-methoxy-5-methyl-1-benzothiophen-6-ol

C10H10O2S — CID 131080839

IUPAC3-methoxy-5-methyl-1-benzothiophen-6-ol
SMILESCOc1csc2cc(O)c(C)cc12
InChIInChI=1S/C10H10O2S/c1-6-3-7-9(12-2)5-13-10(7)4-8(6)11/h3-5,11H,1-2H3
InChIKeyBGBCWUVWAXFWPV-UHFFFAOYSA-N
MW194.25 g/mol
LogP2.92
Rot. Bonds1

About 3-methoxy-5-methyl-1-benzothiophen-6-ol

3-methoxy-5-methyl-1-benzothiophen-6-ol (PubChem CID 131080839) has the molecular formula C10H10O2S and a molecular weight of 194.25 g/mol. Its IUPAC name is 3-methoxy-5-methyl-1-benzothiophen-6-ol.

Molecular Properties

Compound Name3-methoxy-5-methyl-1-benzothiophen-6-ol
PubChem CID131080839
Molecular FormulaC10H10O2S
Molecular Weight194.25 g/mol
Exact Mass194.04
IUPAC Name3-methoxy-5-methyl-1-benzothiophen-6-ol
SMILESCOc1csc2cc(O)c(C)cc12
InChIInChI=1S/C10H10O2S/c1-6-3-7-9(12-2)5-13-10(7)4-8(6)11/h3-5,11H,1-2H3
InChIKeyBGBCWUVWAXFWPV-UHFFFAOYSA-N
XLogP2.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methoxy-5-methyl-1-benzothiophen-6-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-5-methoxy-1-benzothiophen-6-ol
CID 131150696
6-methyl-3-sulfanyl-1-benzothiophen-5-ol
CID 130821459
5,6-dimethoxy-3-methyl-1-benzothiophen-4-ol
CID 135045038
5-(chloromethyl)-6-iodo-3-methoxy-1-benzothiophene
CID 131146490
3-ethoxy-5-iodo-1-benzothiophen-6-ol
CID 130985683
6-chloro-3-methoxy-1-benzothiophen-4-ol
CID 130970027
4-iodo-5-methoxy-2-methylphenol
CID 166815772
4-chloro-5-methoxy-2-methylphenol
CID 21341377
4-(4-methoxy-3-methylphenyl)sulfanyl-2-methylphenol
CID 54033630
5-ethyl-3-methyl-1-benzothiophen-6-ol
CID 131197632
5-methoxy-2-methyl-4-(trifluoromethyl)phenol
CID 142839437
6-chloro-3-methyl-1-benzothiophen-5-ol
CID 13085745

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-methyl-1-benzothiophen-6-ol?
The IUPAC name of 3-methoxy-5-methyl-1-benzothiophen-6-ol (CID 131080839) is 3-methoxy-5-methyl-1-benzothiophen-6-ol.
What is the SMILES notation for 3-methoxy-5-methyl-1-benzothiophen-6-ol?
The canonical SMILES for 3-methoxy-5-methyl-1-benzothiophen-6-ol is COc1csc2cc(O)c(C)cc12.
What is the InChIKey of 3-methoxy-5-methyl-1-benzothiophen-6-ol?
The InChIKey is BGBCWUVWAXFWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2S/c1-6-3-7-9(12-2)5-13-10(7)4-8(6)11/h3-5,11H,1-2H3.
What are the key properties of 3-methoxy-5-methyl-1-benzothiophen-6-ol?
3-methoxy-5-methyl-1-benzothiophen-6-ol has a molecular weight of 194.25 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-methyl-1-benzothiophen-6-ol is sourced from PubChem (CID 131080839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).