3,7-dimethyl-1-benzothiophen-5-ol

C10H10OS — CID 130032255

IUPAC3,7-dimethyl-1-benzothiophen-5-ol
SMILESCc1csc2c(C)cc(O)cc12
InChIInChI=1S/C10H10OS/c1-6-3-8(11)4-9-7(2)5-12-10(6)9/h3-5,11H,1-2H3
InChIKeyJBIINLNSFZRCKV-UHFFFAOYSA-N
MW178.26 g/mol
LogP3.22
Rot. Bonds

About 3,7-dimethyl-1-benzothiophen-5-ol

3,7-dimethyl-1-benzothiophen-5-ol (PubChem CID 130032255) has the molecular formula C10H10OS and a molecular weight of 178.26 g/mol. Its IUPAC name is 3,7-dimethyl-1-benzothiophen-5-ol.

Molecular Properties

Compound Name3,7-dimethyl-1-benzothiophen-5-ol
PubChem CID130032255
Molecular FormulaC10H10OS
Molecular Weight178.26 g/mol
Exact Mass178.05
IUPAC Name3,7-dimethyl-1-benzothiophen-5-ol
SMILESCc1csc2c(C)cc(O)cc12
InChIInChI=1S/C10H10OS/c1-6-3-8(11)4-9-7(2)5-12-10(6)9/h3-5,11H,1-2H3
InChIKeyJBIINLNSFZRCKV-UHFFFAOYSA-N
XLogP3.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Phenol, 3,5-dimethyl-4-(methylthio)-
CID 81853
Benzo(b)thiophen-4-ol
CID 19217
Benzo(b)thiophene-3-ol
CID 10629
Benzo[b]thiophen-5-ol
CID 12203499
3,3'-Thiene-2,4-diyldiphenol
CID 25093392
3-(Thiophen-2-YL)phenol
CID 3564196
2-(4-Hydroxy-2-methylphenyl)-1-benzothiophen-6-ol
CID 10999677
5-Hydroxymethylbenzo[b]thiophen-2-ylboronic acid
CID 44435712
4-Hydroxydibenzothiophene
CID 154873
2-Hydroxydibenzothiophene
CID 155625
Benzo(b)thiophen-5-ol, 3-(2-aminoethyl)-
CID 25600
3-Methylbenzo[b]thiophen-5-ol
CID 12575560

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-1-benzothiophen-5-ol?
The IUPAC name of 3,7-dimethyl-1-benzothiophen-5-ol (CID 130032255) is 3,7-dimethyl-1-benzothiophen-5-ol.
What is the SMILES notation for 3,7-dimethyl-1-benzothiophen-5-ol?
The canonical SMILES for 3,7-dimethyl-1-benzothiophen-5-ol is Cc1csc2c(C)cc(O)cc12.
What is the InChIKey of 3,7-dimethyl-1-benzothiophen-5-ol?
The InChIKey is JBIINLNSFZRCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10OS/c1-6-3-8(11)4-9-7(2)5-12-10(6)9/h3-5,11H,1-2H3.
What are the key properties of 3,7-dimethyl-1-benzothiophen-5-ol?
3,7-dimethyl-1-benzothiophen-5-ol has a molecular weight of 178.26 g/mol, XLogP of 3.22, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-1-benzothiophen-5-ol is sourced from PubChem (CID 130032255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).