2,3-dimethyl-1-benzothiophen-5-ol

C10H10OS — CID 23215480

IUPAC2,3-dimethyl-1-benzothiophen-5-ol
SMILESCc1sc2ccc(O)cc2c1C
InChIInChI=1S/C10H10OS/c1-6-7(2)12-10-4-3-8(11)5-9(6)10/h3-5,11H,1-2H3
InChIKeyPCBCRJRJYVLHLO-UHFFFAOYSA-N
MW178.26 g/mol
LogP3.22
Rot. Bonds

About 2,3-dimethyl-1-benzothiophen-5-ol

2,3-dimethyl-1-benzothiophen-5-ol (PubChem CID 23215480) has the molecular formula C10H10OS and a molecular weight of 178.26 g/mol. Its IUPAC name is 2,3-dimethyl-1-benzothiophen-5-ol.

Molecular Properties

Compound Name2,3-dimethyl-1-benzothiophen-5-ol
PubChem CID23215480
Molecular FormulaC10H10OS
Molecular Weight178.26 g/mol
Exact Mass178.05
IUPAC Name2,3-dimethyl-1-benzothiophen-5-ol
SMILESCc1sc2ccc(O)cc2c1C
InChIInChI=1S/C10H10OS/c1-6-7(2)12-10-4-3-8(11)5-9(6)10/h3-5,11H,1-2H3
InChIKeyPCBCRJRJYVLHLO-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

2-(4-Hydroxyphenyl)benzo(b)thiophen-6-ol
CID 445920
Benzo(b)thiophen-4-ol
CID 19217
Benzo(b)thiophene-3-ol
CID 10629
Benzo(b)thiophene-6-ol
CID 88004
Benzo[b]thiophen-5-ol
CID 12203499
2-(4-Methylphenyl)-1-benzothiophen-6-ol
CID 10933614
2-Phenyl-1-benzothiophen-6-ol
CID 11117751
3-(5-Phenylthiophen-2-yl)phenol
CID 25093384
3-[5-(4-Hydroxyphenyl)-2-thienyl]phenol
CID 25093386
3,3'-Thiene-2,5-diyldiphenol
CID 25093387
4-[4-(3-Hydroxyphenyl)thiophen-2-yl]phenol
CID 25093389
3-[4-(4-Hydroxyphenyl)-2-thienyl]phenol
CID 25093391

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-benzothiophen-5-ol?
The IUPAC name of 2,3-dimethyl-1-benzothiophen-5-ol (CID 23215480) is 2,3-dimethyl-1-benzothiophen-5-ol.
What is the SMILES notation for 2,3-dimethyl-1-benzothiophen-5-ol?
The canonical SMILES for 2,3-dimethyl-1-benzothiophen-5-ol is Cc1sc2ccc(O)cc2c1C.
What is the InChIKey of 2,3-dimethyl-1-benzothiophen-5-ol?
The InChIKey is PCBCRJRJYVLHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10OS/c1-6-7(2)12-10-4-3-8(11)5-9(6)10/h3-5,11H,1-2H3.
What are the key properties of 2,3-dimethyl-1-benzothiophen-5-ol?
2,3-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 2,3-dimethyl-1-benzothiophen-5-ol is sourced from PubChem (CID 23215480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).