[4-chloro-5-(chloromethyl)-1-benzothiophen-7-yl]methanol

C10H8Cl2OS — CID 130985373

IUPAC[4-chloro-5-(chloromethyl)-1-benzothiophen-7-yl]methanol
SMILESOCc1cc(CCl)c(Cl)c2ccsc12
InChIInChI=1S/C10H8Cl2OS/c11-4-6-3-7(5-13)10-8(9(6)12)1-2-14-10/h1-3,13H,4-5H2
InChIKeyFWIVXGUMHKLBMK-UHFFFAOYSA-N
MW247.15 g/mol
LogP3.79
Rot. Bonds2

About [4-chloro-5-(chloromethyl)-1-benzothiophen-7-yl]methanol

[4-chloro-5-(chloromethyl)-1-benzothiophen-7-yl]methanol (PubChem CID 130985373) has the molecular formula C10H8Cl2OS and a molecular weight of 247.15 g/mol. Its IUPAC name is [4-chloro-5-(chloromethyl)-1-benzothiophen-7-yl]methanol.

Molecular Properties

Compound Name[4-chloro-5-(chloromethyl)-1-benzothiophen-7-yl]methanol
PubChem CID130985373
Molecular FormulaC10H8Cl2OS
Molecular Weight247.15 g/mol
Exact Mass245.97
IUPAC Name[4-chloro-5-(chloromethyl)-1-benzothiophen-7-yl]methanol
SMILESOCc1cc(CCl)c(Cl)c2ccsc12
InChIInChI=1S/C10H8Cl2OS/c11-4-6-3-7(5-13)10-8(9(6)12)1-2-14-10/h1-3,13H,4-5H2
InChIKeyFWIVXGUMHKLBMK-UHFFFAOYSA-N
XLogP3.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.15
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-amino-7-(chloromethyl)-1-benzothiophen-5-yl]methanol
CID 130803466
[6-(chloromethyl)-7-iodo-1-benzothiophen-4-yl]methanol
CID 131014412
4-chloro-7-(chloromethyl)-1-benzothiophene-5-carbonitrile
CID 130898597
[4-bromo-6-(chloromethyl)-1-benzothiophen-7-yl]methanol
CID 130901103
7-(chloromethyl)-1-benzothiophene-4,5-diol
CID 131191604
7-(hydroxymethyl)-4-sulfanyl-1-benzothiophen-5-ol
CID 131196046
[4-(chloromethyl)-7-fluoro-1-benzothiophen-5-yl]methanol
CID 131146400
7-chloro-6-(chloromethyl)-4-methylsulfanyl-1-benzothiophene
CID 130926327
[6-bromo-7-(chloromethyl)-1-benzothiophen-4-yl]methanol
CID 130820878
(5-fluoro-4-methyl-1-benzothiophen-7-yl)methanol
CID 130987115
(7-chloro-4-iodo-1-benzothiophen-5-yl)methanol
CID 131031169
7-(chloromethyl)-4,5-difluoro-1-benzothiophene
CID 130786097

Frequently Asked Questions

What is the IUPAC name of [4-chloro-5-(chloromethyl)-1-benzothiophen-7-yl]methanol?
The IUPAC name of [4-chloro-5-(chloromethyl)-1-benzothiophen-7-yl]methanol (CID 130985373) is [4-chloro-5-(chloromethyl)-1-benzothiophen-7-yl]methanol.
What is the SMILES notation for [4-chloro-5-(chloromethyl)-1-benzothiophen-7-yl]methanol?
The canonical SMILES for [4-chloro-5-(chloromethyl)-1-benzothiophen-7-yl]methanol is OCc1cc(CCl)c(Cl)c2ccsc12.
What is the InChIKey of [4-chloro-5-(chloromethyl)-1-benzothiophen-7-yl]methanol?
The InChIKey is FWIVXGUMHKLBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2OS/c11-4-6-3-7(5-13)10-8(9(6)12)1-2-14-10/h1-3,13H,4-5H2.
What are the key properties of [4-chloro-5-(chloromethyl)-1-benzothiophen-7-yl]methanol?
[4-chloro-5-(chloromethyl)-1-benzothiophen-7-yl]methanol has a molecular weight of 247.15 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-5-(chloromethyl)-1-benzothiophen-7-yl]methanol is sourced from PubChem (CID 130985373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).