4-chloro-2-methyl-1-benzothiophen-3-ol

C9H7ClOS — CID 130793528

IUPAC4-chloro-2-methyl-1-benzothiophen-3-ol
SMILESCc1sc2cccc(Cl)c2c1O
InChIInChI=1S/C9H7ClOS/c1-5-9(11)8-6(10)3-2-4-7(8)12-5/h2-4,11H,1H3
InChIKeyAKBXSJOBPOTUMO-UHFFFAOYSA-N
MW198.67 g/mol
LogP3.57
Rot. Bonds

About 4-chloro-2-methyl-1-benzothiophen-3-ol

4-chloro-2-methyl-1-benzothiophen-3-ol (PubChem CID 130793528) has the molecular formula C9H7ClOS and a molecular weight of 198.67 g/mol. Its IUPAC name is 4-chloro-2-methyl-1-benzothiophen-3-ol.

Molecular Properties

Compound Name4-chloro-2-methyl-1-benzothiophen-3-ol
PubChem CID130793528
Molecular FormulaC9H7ClOS
Molecular Weight198.67 g/mol
Exact Mass197.99
IUPAC Name4-chloro-2-methyl-1-benzothiophen-3-ol
SMILESCc1sc2cccc(Cl)c2c1O
InChIInChI=1S/C9H7ClOS/c1-5-9(11)8-6(10)3-2-4-7(8)12-5/h2-4,11H,1H3
InChIKeyAKBXSJOBPOTUMO-UHFFFAOYSA-N
XLogP3.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.67
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-3-ethoxy-2-methyl-1-benzothiophene
CID 130884989
9-chlorodibenzothiophen-4-ol
CID 166591681
3-chloro-2,4-dimethyl-1-benzothiophene;ethane
CID 143520176
3-chloro-2-methyl-1-benzothiophene-4-carboxylic acid
CID 131146433
3,4-dichloro-2-fluoro-1-benzothiophene
CID 130870260
3,4-dibromo-2-methyl-1-benzothiophene
CID 131074757
2,4,9-trichloro-[1]benzothiolo[3,2-d]pyrimidine
CID 146606356
(3-amino-4-chloro-1-benzothiophen-2-yl)methanol
CID 131030958
5-chloro-2-methyl-1-benzothiophen-3-ol
CID 90918117
2-chloro-6-methylphenol;yttrium
CID 178141464
3-amino-4-chloro-1-benzothiophene-2-carboxylic acid
CID 84791715
1-(4-chloro-3-methyl-1-benzothiophen-2-yl)-3-(dimethylamino)propan-1-one
CID 134122465

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-1-benzothiophen-3-ol?
The IUPAC name of 4-chloro-2-methyl-1-benzothiophen-3-ol (CID 130793528) is 4-chloro-2-methyl-1-benzothiophen-3-ol.
What is the SMILES notation for 4-chloro-2-methyl-1-benzothiophen-3-ol?
The canonical SMILES for 4-chloro-2-methyl-1-benzothiophen-3-ol is Cc1sc2cccc(Cl)c2c1O.
What is the InChIKey of 4-chloro-2-methyl-1-benzothiophen-3-ol?
The InChIKey is AKBXSJOBPOTUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClOS/c1-5-9(11)8-6(10)3-2-4-7(8)12-5/h2-4,11H,1H3.
What are the key properties of 4-chloro-2-methyl-1-benzothiophen-3-ol?
4-chloro-2-methyl-1-benzothiophen-3-ol has a molecular weight of 198.67 g/mol, XLogP of 3.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-1-benzothiophen-3-ol is sourced from PubChem (CID 130793528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).