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

C9H7IOS — CID 130987143

IUPAC4-iodo-3-methyl-1-benzothiophen-2-ol
SMILESCc1c(O)sc2cccc(I)c12
InChIInChI=1S/C9H7IOS/c1-5-8-6(10)3-2-4-7(8)12-9(5)11/h2-4,11H,1H3
InChIKeyKJWYWEVKDNFTIA-UHFFFAOYSA-N
MW290.12 g/mol
LogP3.52
Rot. Bonds

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

4-iodo-3-methyl-1-benzothiophen-2-ol (PubChem CID 130987143) has the molecular formula C9H7IOS and a molecular weight of 290.12 g/mol. Its IUPAC name is 4-iodo-3-methyl-1-benzothiophen-2-ol.

Molecular Properties

Compound Name4-iodo-3-methyl-1-benzothiophen-2-ol
PubChem CID130987143
Molecular FormulaC9H7IOS
Molecular Weight290.12 g/mol
Exact Mass289.93
IUPAC Name4-iodo-3-methyl-1-benzothiophen-2-ol
SMILESCc1c(O)sc2cccc(I)c12
InChIInChI=1S/C9H7IOS/c1-5-8-6(10)3-2-4-7(8)12-9(5)11/h2-4,11H,1H3
InChIKeyKJWYWEVKDNFTIA-UHFFFAOYSA-N
XLogP3.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.12
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3,4-difluoro-1-benzothiophen-2-ol
CID 131053776
3-fluoro-4-iodo-2-methoxy-1-benzothiophene
CID 131145524
2-iodo-3-methyl-1-benzothiophen-4-amine
CID 130788970
3-fluoro-4-iodo-1-benzothiophene-2-carbaldehyde
CID 131219098
3,4-dibromo-2-methyl-1-benzothiophene
CID 131074757
3-(hydroxymethyl)-4-iodo-1-benzothiophene-2-carbonitrile
CID 130971089
3-(difluoromethyl)-4-iodo-1-benzothiophen-2-amine
CID 130788534
3-(difluoromethyl)-2-iodo-4-methyl-1-benzothiophene
CID 131060261
4-chloro-2-methyl-1-benzothiophen-3-ol
CID 130793528
4-fluoro-3-methyl-1-benzothiophene-2-carboxylate
CID 7129158
5-iodo-1H-[1]benzothiolo[2,3-b]pyridin-4-one
CID 167294920
7-iodo-1-benzothiophene-2,3-diol
CID 131215768

Frequently Asked Questions

What is the IUPAC name of 4-iodo-3-methyl-1-benzothiophen-2-ol?
The IUPAC name of 4-iodo-3-methyl-1-benzothiophen-2-ol (CID 130987143) is 4-iodo-3-methyl-1-benzothiophen-2-ol.
What is the SMILES notation for 4-iodo-3-methyl-1-benzothiophen-2-ol?
The canonical SMILES for 4-iodo-3-methyl-1-benzothiophen-2-ol is Cc1c(O)sc2cccc(I)c12.
What is the InChIKey of 4-iodo-3-methyl-1-benzothiophen-2-ol?
The InChIKey is KJWYWEVKDNFTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7IOS/c1-5-8-6(10)3-2-4-7(8)12-9(5)11/h2-4,11H,1H3.
What are the key properties of 4-iodo-3-methyl-1-benzothiophen-2-ol?
4-iodo-3-methyl-1-benzothiophen-2-ol has a molecular weight of 290.12 g/mol, XLogP of 3.52, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-3-methyl-1-benzothiophen-2-ol is sourced from PubChem (CID 130987143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).