6-(chloromethyl)-2-methyl-1-benzothiophen-5-ol

C10H9ClOS — CID 130826737

IUPAC6-(chloromethyl)-2-methyl-1-benzothiophen-5-ol
SMILESCc1cc2cc(O)c(CCl)cc2s1
InChIInChI=1S/C10H9ClOS/c1-6-2-7-3-9(12)8(5-11)4-10(7)13-6/h2-4,12H,5H2,1H3
InChIKeyMEBMTUMFAYCIKK-UHFFFAOYSA-N
MW212.70 g/mol
LogP3.65
Rot. Bonds1

About 6-(chloromethyl)-2-methyl-1-benzothiophen-5-ol

6-(chloromethyl)-2-methyl-1-benzothiophen-5-ol (PubChem CID 130826737) has the molecular formula C10H9ClOS and a molecular weight of 212.70 g/mol. Its IUPAC name is 6-(chloromethyl)-2-methyl-1-benzothiophen-5-ol.

Molecular Properties

Compound Name6-(chloromethyl)-2-methyl-1-benzothiophen-5-ol
PubChem CID130826737
Molecular FormulaC10H9ClOS
Molecular Weight212.70 g/mol
Exact Mass212.01
IUPAC Name6-(chloromethyl)-2-methyl-1-benzothiophen-5-ol
SMILESCc1cc2cc(O)c(CCl)cc2s1
InChIInChI=1S/C10H9ClOS/c1-6-2-7-3-9(12)8(5-11)4-10(7)13-6/h2-4,12H,5H2,1H3
InChIKeyMEBMTUMFAYCIKK-UHFFFAOYSA-N
XLogP3.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.70
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-2-methyl-1-benzothiophen-5-ol?
The IUPAC name of 6-(chloromethyl)-2-methyl-1-benzothiophen-5-ol (CID 130826737) is 6-(chloromethyl)-2-methyl-1-benzothiophen-5-ol.
What is the SMILES notation for 6-(chloromethyl)-2-methyl-1-benzothiophen-5-ol?
The canonical SMILES for 6-(chloromethyl)-2-methyl-1-benzothiophen-5-ol is Cc1cc2cc(O)c(CCl)cc2s1.
What is the InChIKey of 6-(chloromethyl)-2-methyl-1-benzothiophen-5-ol?
The InChIKey is MEBMTUMFAYCIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClOS/c1-6-2-7-3-9(12)8(5-11)4-10(7)13-6/h2-4,12H,5H2,1H3.
What are the key properties of 6-(chloromethyl)-2-methyl-1-benzothiophen-5-ol?
6-(chloromethyl)-2-methyl-1-benzothiophen-5-ol has a molecular weight of 212.70 g/mol, XLogP of 3.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-2-methyl-1-benzothiophen-5-ol is sourced from PubChem (CID 130826737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).