6-chloro-5-methoxy-1-benzothiophen-2-ol

C9H7ClO2S — CID 131034383

IUPAC6-chloro-5-methoxy-1-benzothiophen-2-ol
SMILESCOc1cc2cc(O)sc2cc1Cl
InChIInChI=1S/C9H7ClO2S/c1-12-7-2-5-3-9(11)13-8(5)4-6(7)10/h2-4,11H,1H3
InChIKeyUCPSFZAPYUOFRF-UHFFFAOYSA-N
MW214.67 g/mol
LogP3.27
Rot. Bonds1

About 6-chloro-5-methoxy-1-benzothiophen-2-ol

6-chloro-5-methoxy-1-benzothiophen-2-ol (PubChem CID 131034383) has the molecular formula C9H7ClO2S and a molecular weight of 214.67 g/mol. Its IUPAC name is 6-chloro-5-methoxy-1-benzothiophen-2-ol.

Molecular Properties

Compound Name6-chloro-5-methoxy-1-benzothiophen-2-ol
PubChem CID131034383
Molecular FormulaC9H7ClO2S
Molecular Weight214.67 g/mol
Exact Mass213.99
IUPAC Name6-chloro-5-methoxy-1-benzothiophen-2-ol
SMILESCOc1cc2cc(O)sc2cc1Cl
InChIInChI=1S/C9H7ClO2S/c1-12-7-2-5-3-9(11)13-8(5)4-6(7)10/h2-4,11H,1H3
InChIKeyUCPSFZAPYUOFRF-UHFFFAOYSA-N
XLogP3.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.67
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-6-methoxy-1,3-benzothiazole
CID 83841308
tert-butyl 5-chloro-6-methoxy-1-benzothiophene-2-carboxylate
CID 134395742
methyl 4-(5-chloro-6-methoxy-1-benzothiophen-2-yl)-4-oxobutanoate
CID 134416795
5-chloro-6-methoxy-N-methyl-1,3-benzothiazol-2-amine
CID 82549306
4-chloro-5-methoxy-2-methylphenol
CID 21341377
5-chloro-6-methoxy-1,3-benzothiazole-2-carbonitrile
CID 58427760
6-fluoro-5-methoxy-2-methyl-1-benzothiophene
CID 90429351
5-chloro-2-fluoro-4-methoxyphenol
CID 84655771
2-bromo-5-chloro-4-methoxyphenol
CID 84700319
4-chloro-2-fluoro-5-methoxyphenol
CID 91801475
2,7-dichloro-6-methoxy-3-methylquinoline
CID 28809488
6-chloro-3-fluoro-5-methoxy-1-benzothiophene
CID 130969688

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methoxy-1-benzothiophen-2-ol?
The IUPAC name of 6-chloro-5-methoxy-1-benzothiophen-2-ol (CID 131034383) is 6-chloro-5-methoxy-1-benzothiophen-2-ol.
What is the SMILES notation for 6-chloro-5-methoxy-1-benzothiophen-2-ol?
The canonical SMILES for 6-chloro-5-methoxy-1-benzothiophen-2-ol is COc1cc2cc(O)sc2cc1Cl.
What is the InChIKey of 6-chloro-5-methoxy-1-benzothiophen-2-ol?
The InChIKey is UCPSFZAPYUOFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClO2S/c1-12-7-2-5-3-9(11)13-8(5)4-6(7)10/h2-4,11H,1H3.
What are the key properties of 6-chloro-5-methoxy-1-benzothiophen-2-ol?
6-chloro-5-methoxy-1-benzothiophen-2-ol has a molecular weight of 214.67 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methoxy-1-benzothiophen-2-ol is sourced from PubChem (CID 131034383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).