2-(chloromethyl)-5-methoxy-1-benzothiophen-4-ol

C10H9ClO2S — CID 131034506

IUPAC2-(chloromethyl)-5-methoxy-1-benzothiophen-4-ol
SMILESCOc1ccc2sc(CCl)cc2c1O
InChIInChI=1S/C10H9ClO2S/c1-13-8-2-3-9-7(10(8)12)4-6(5-11)14-9/h2-4,12H,5H2,1H3
InChIKeyQFDRKSFZMWISRL-UHFFFAOYSA-N
MW228.70 g/mol
LogP3.35
Rot. Bonds2

About 2-(chloromethyl)-5-methoxy-1-benzothiophen-4-ol

2-(chloromethyl)-5-methoxy-1-benzothiophen-4-ol (PubChem CID 131034506) has the molecular formula C10H9ClO2S and a molecular weight of 228.70 g/mol. Its IUPAC name is 2-(chloromethyl)-5-methoxy-1-benzothiophen-4-ol.

Molecular Properties

Compound Name2-(chloromethyl)-5-methoxy-1-benzothiophen-4-ol
PubChem CID131034506
Molecular FormulaC10H9ClO2S
Molecular Weight228.70 g/mol
Exact Mass228.00
IUPAC Name2-(chloromethyl)-5-methoxy-1-benzothiophen-4-ol
SMILESCOc1ccc2sc(CCl)cc2c1O
InChIInChI=1S/C10H9ClO2S/c1-13-8-2-3-9-7(10(8)12)4-6(5-11)14-9/h2-4,12H,5H2,1H3
InChIKeyQFDRKSFZMWISRL-UHFFFAOYSA-N
XLogP3.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.70
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(chloromethyl)-5-fluoro-1-benzothiophen-4-yl]methanol
CID 130951760
2-ethyl-5-methylsulfanyl-1-benzothiophen-4-ol
CID 130913641
5-ethyl-2-methoxy-1-benzothiophen-4-ol
CID 130857304
2-(hydroxymethyl)-7-methoxy-1-benzothiophen-4-ol
CID 130885124
4-(chloromethyl)-2,6-dimethoxyphenol
CID 86126298
5-(chloromethyl)-2-methoxy-1-benzothiophen-3-amine
CID 131053815
3-bromo-6-methoxy-2-(methoxymethoxy)phenol
CID 67466846
5-chloro-2-methyl-1-benzothiophen-3-ol
CID 90918117
6-(chloromethyl)-5-methoxy-1-benzothiophen-7-ol
CID 131195864
3-(4-hydroxy-3,5-dimethoxyphenyl)-2,6-dimethoxyphenol
CID 53362757
2-bromo-3-chloro-6-methoxyphenol
CID 84700321
2-(4-methoxy-1-benzothiophen-2-yl)-N-methylethanamine
CID 117194582

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-methoxy-1-benzothiophen-4-ol?
The IUPAC name of 2-(chloromethyl)-5-methoxy-1-benzothiophen-4-ol (CID 131034506) is 2-(chloromethyl)-5-methoxy-1-benzothiophen-4-ol.
What is the SMILES notation for 2-(chloromethyl)-5-methoxy-1-benzothiophen-4-ol?
The canonical SMILES for 2-(chloromethyl)-5-methoxy-1-benzothiophen-4-ol is COc1ccc2sc(CCl)cc2c1O.
What is the InChIKey of 2-(chloromethyl)-5-methoxy-1-benzothiophen-4-ol?
The InChIKey is QFDRKSFZMWISRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO2S/c1-13-8-2-3-9-7(10(8)12)4-6(5-11)14-9/h2-4,12H,5H2,1H3.
What are the key properties of 2-(chloromethyl)-5-methoxy-1-benzothiophen-4-ol?
2-(chloromethyl)-5-methoxy-1-benzothiophen-4-ol has a molecular weight of 228.70 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-methoxy-1-benzothiophen-4-ol is sourced from PubChem (CID 131034506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).