[4-(chloromethyl)-2-methyl-1-benzothiophen-7-yl]methanol

C11H11ClOS — CID 131145347

IUPAC[4-(chloromethyl)-2-methyl-1-benzothiophen-7-yl]methanol
SMILESCc1cc2c(CCl)ccc(CO)c2s1
InChIInChI=1S/C11H11ClOS/c1-7-4-10-8(5-12)2-3-9(6-13)11(10)14-7/h2-4,13H,5-6H2,1H3
InChIKeyGCJLIODPCOLLJR-UHFFFAOYSA-N
MW226.73 g/mol
LogP3.44
Rot. Bonds2

About [4-(chloromethyl)-2-methyl-1-benzothiophen-7-yl]methanol

[4-(chloromethyl)-2-methyl-1-benzothiophen-7-yl]methanol (PubChem CID 131145347) has the molecular formula C11H11ClOS and a molecular weight of 226.73 g/mol. Its IUPAC name is [4-(chloromethyl)-2-methyl-1-benzothiophen-7-yl]methanol.

Molecular Properties

Compound Name[4-(chloromethyl)-2-methyl-1-benzothiophen-7-yl]methanol
PubChem CID131145347
Molecular FormulaC11H11ClOS
Molecular Weight226.73 g/mol
Exact Mass226.02
IUPAC Name[4-(chloromethyl)-2-methyl-1-benzothiophen-7-yl]methanol
SMILESCc1cc2c(CCl)ccc(CO)c2s1
InChIInChI=1S/C11H11ClOS/c1-7-4-10-8(5-12)2-3-9(6-13)11(10)14-7/h2-4,13H,5-6H2,1H3
InChIKeyGCJLIODPCOLLJR-UHFFFAOYSA-N
XLogP3.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.73
LogP ≤ 53.44
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 [4-(chloromethyl)-2-methyl-1-benzothiophen-7-yl]methanol?
The IUPAC name of [4-(chloromethyl)-2-methyl-1-benzothiophen-7-yl]methanol (CID 131145347) is [4-(chloromethyl)-2-methyl-1-benzothiophen-7-yl]methanol.
What is the SMILES notation for [4-(chloromethyl)-2-methyl-1-benzothiophen-7-yl]methanol?
The canonical SMILES for [4-(chloromethyl)-2-methyl-1-benzothiophen-7-yl]methanol is Cc1cc2c(CCl)ccc(CO)c2s1.
What is the InChIKey of [4-(chloromethyl)-2-methyl-1-benzothiophen-7-yl]methanol?
The InChIKey is GCJLIODPCOLLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClOS/c1-7-4-10-8(5-12)2-3-9(6-13)11(10)14-7/h2-4,13H,5-6H2,1H3.
What are the key properties of [4-(chloromethyl)-2-methyl-1-benzothiophen-7-yl]methanol?
[4-(chloromethyl)-2-methyl-1-benzothiophen-7-yl]methanol has a molecular weight of 226.73 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(chloromethyl)-2-methyl-1-benzothiophen-7-yl]methanol is sourced from PubChem (CID 131145347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).