4-bromo-3-methyl-1-benzothiophen-5-ol

C9H7BrOS — CID 131096785

IUPAC4-bromo-3-methyl-1-benzothiophen-5-ol
SMILESCc1csc2ccc(O)c(Br)c12
InChIInChI=1S/C9H7BrOS/c1-5-4-12-7-3-2-6(11)9(10)8(5)7/h2-4,11H,1H3
InChIKeySCZINYLXQQLCKR-UHFFFAOYSA-N
MW243.12 g/mol
LogP3.68
Rot. Bonds

About 4-bromo-3-methyl-1-benzothiophen-5-ol

4-bromo-3-methyl-1-benzothiophen-5-ol (PubChem CID 131096785) has the molecular formula C9H7BrOS and a molecular weight of 243.12 g/mol. Its IUPAC name is 4-bromo-3-methyl-1-benzothiophen-5-ol.

Molecular Properties

Compound Name4-bromo-3-methyl-1-benzothiophen-5-ol
PubChem CID131096785
Molecular FormulaC9H7BrOS
Molecular Weight243.12 g/mol
Exact Mass241.94
IUPAC Name4-bromo-3-methyl-1-benzothiophen-5-ol
SMILESCc1csc2ccc(O)c(Br)c12
InChIInChI=1S/C9H7BrOS/c1-5-4-12-7-3-2-6(11)9(10)8(5)7/h2-4,11H,1H3
InChIKeySCZINYLXQQLCKR-UHFFFAOYSA-N
XLogP3.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.12
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-3-methyl-1-benzothiophen-5-amine
CID 130909893
3,5-dimethyl-1-benzothiophen-4-ol
CID 91882001
4-bromo-3-methyl-1,2-benzothiazol-5-ol
CID 7784185
3-bromo-4,5-dimethyl-1-benzothiophene
CID 82387657
4-(hydroxymethyl)-5-methyl-1-benzothiophen-3-ol
CID 131014621
3,5-dibromo-1-benzothiophen-4-ol
CID 131138178
3-amino-4-methoxy-1-benzothiophen-5-ol
CID 130792504
2-(3,5-dimethyl-1-benzothiophen-4-yl)acetic acid
CID 91881999
ethane;4-fluoro-3-methyl-1-benzothiophene
CID 176569094
3-bromo-5-methoxy-1-benzothiophen-4-ol
CID 131034350
4-(difluoromethyl)-5-fluoro-3-methyl-1-benzothiophene
CID 130870686
4-bromo-3-methylthieno[2,3-c]pyridine
CID 170773939

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methyl-1-benzothiophen-5-ol?
The IUPAC name of 4-bromo-3-methyl-1-benzothiophen-5-ol (CID 131096785) is 4-bromo-3-methyl-1-benzothiophen-5-ol.
What is the SMILES notation for 4-bromo-3-methyl-1-benzothiophen-5-ol?
The canonical SMILES for 4-bromo-3-methyl-1-benzothiophen-5-ol is Cc1csc2ccc(O)c(Br)c12.
What is the InChIKey of 4-bromo-3-methyl-1-benzothiophen-5-ol?
The InChIKey is SCZINYLXQQLCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrOS/c1-5-4-12-7-3-2-6(11)9(10)8(5)7/h2-4,11H,1H3.
What are the key properties of 4-bromo-3-methyl-1-benzothiophen-5-ol?
4-bromo-3-methyl-1-benzothiophen-5-ol has a molecular weight of 243.12 g/mol, XLogP of 3.68, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methyl-1-benzothiophen-5-ol is sourced from PubChem (CID 131096785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).