2-chloro-3-methoxy-1-benzothiophen-5-ol

C9H7ClO2S — CID 130792465

IUPAC2-chloro-3-methoxy-1-benzothiophen-5-ol
SMILESCOc1c(Cl)sc2ccc(O)cc12
InChIInChI=1S/C9H7ClO2S/c1-12-8-6-4-5(11)2-3-7(6)13-9(8)10/h2-4,11H,1H3
InChIKeyCEFVDVWUFAAFNQ-UHFFFAOYSA-N
MW214.67 g/mol
LogP3.27
Rot. Bonds1

About 2-chloro-3-methoxy-1-benzothiophen-5-ol

2-chloro-3-methoxy-1-benzothiophen-5-ol (PubChem CID 130792465) has the molecular formula C9H7ClO2S and a molecular weight of 214.67 g/mol. Its IUPAC name is 2-chloro-3-methoxy-1-benzothiophen-5-ol.

Molecular Properties

Compound Name2-chloro-3-methoxy-1-benzothiophen-5-ol
PubChem CID130792465
Molecular FormulaC9H7ClO2S
Molecular Weight214.67 g/mol
Exact Mass213.99
IUPAC Name2-chloro-3-methoxy-1-benzothiophen-5-ol
SMILESCOc1c(Cl)sc2ccc(O)cc12
InChIInChI=1S/C9H7ClO2S/c1-12-8-6-4-5(11)2-3-7(6)13-9(8)10/h2-4,11H,1H3
InChIKeyCEFVDVWUFAAFNQ-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-(hydroxymethyl)-3-methoxy-1-benzothiophen-5-ol
CID 130969763
2-chloro-6-fluoro-3-methoxy-1-benzothiophene
CID 130839104
3,5-dimethoxy-1-benzothiophen-2-ol
CID 131098457
4-methoxy-5-sulfanyl-1-benzothiophen-2-ol
CID 130821366
2-chloro-3-(chloromethyl)-5-methoxy-1-benzothiophene
CID 130926294
3-methyl-2-propan-2-yl-1-benzothiophen-5-ol
CID 58448893
5-methoxy-3-methyl-1-benzothiophene;3-methyl-1-benzothiophen-5-ol
CID 159990701
2-amino-3-ethyl-1-benzothiophen-5-ol
CID 131080497
7-amino-8-methoxynaphthalen-2-ol
CID 115017708
3-ethyl-2-(hydroxymethyl)-1-benzothiophen-5-ol
CID 130898901
(4-methoxy-2-methyl-1-benzothiophen-5-yl)methanol
CID 130898913
2-fluoro-4-methoxy-5-methyl-1-benzothiophene
CID 130803509

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-methoxy-1-benzothiophen-5-ol?
The IUPAC name of 2-chloro-3-methoxy-1-benzothiophen-5-ol (CID 130792465) is 2-chloro-3-methoxy-1-benzothiophen-5-ol.
What is the SMILES notation for 2-chloro-3-methoxy-1-benzothiophen-5-ol?
The canonical SMILES for 2-chloro-3-methoxy-1-benzothiophen-5-ol is COc1c(Cl)sc2ccc(O)cc12.
What is the InChIKey of 2-chloro-3-methoxy-1-benzothiophen-5-ol?
The InChIKey is CEFVDVWUFAAFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClO2S/c1-12-8-6-4-5(11)2-3-7(6)13-9(8)10/h2-4,11H,1H3.
What are the key properties of 2-chloro-3-methoxy-1-benzothiophen-5-ol?
2-chloro-3-methoxy-1-benzothiophen-5-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 2-chloro-3-methoxy-1-benzothiophen-5-ol is sourced from PubChem (CID 130792465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).