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

C10H8Cl2OS — CID 131001332

IUPAC[2-chloro-5-(chloromethyl)-1-benzothiophen-4-yl]methanol
SMILESOCc1c(CCl)ccc2sc(Cl)cc12
InChIInChI=1S/C10H8Cl2OS/c11-4-6-1-2-9-7(8(6)5-13)3-10(12)14-9/h1-3,13H,4-5H2
InChIKeyQMBKRHMEONGGED-UHFFFAOYSA-N
MW247.15 g/mol
LogP3.79
Rot. Bonds2

About [2-chloro-5-(chloromethyl)-1-benzothiophen-4-yl]methanol

[2-chloro-5-(chloromethyl)-1-benzothiophen-4-yl]methanol (PubChem CID 131001332) has the molecular formula C10H8Cl2OS and a molecular weight of 247.15 g/mol. Its IUPAC name is [2-chloro-5-(chloromethyl)-1-benzothiophen-4-yl]methanol.

Molecular Properties

Compound Name[2-chloro-5-(chloromethyl)-1-benzothiophen-4-yl]methanol
PubChem CID131001332
Molecular FormulaC10H8Cl2OS
Molecular Weight247.15 g/mol
Exact Mass245.97
IUPAC Name[2-chloro-5-(chloromethyl)-1-benzothiophen-4-yl]methanol
SMILESOCc1c(CCl)ccc2sc(Cl)cc12
InChIInChI=1S/C10H8Cl2OS/c11-4-6-1-2-9-7(8(6)5-13)3-10(12)14-9/h1-3,13H,4-5H2
InChIKeyQMBKRHMEONGGED-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

[5-(bromomethyl)-2-chloro-1-benzothiophen-4-yl]methanol
CID 130985299
2-chloro-4-(chloromethyl)-5-iodo-1-benzothiophene
CID 131138213
[2-(chloromethyl)-5-fluoro-1-benzothiophen-4-yl]methanol
CID 130951760
(5-chloro-2-iodo-1-benzothiophen-4-yl)methanol
CID 131031157
4-(bromomethyl)-2-chloro-5-iodo-1-benzothiophene
CID 130961286
4-(bromomethyl)-2-chloro-1-benzothiophene
CID 14780509
2-(5-bromo-2-chloro-1-benzothiophen-4-yl)acetonitrile
CID 130839609
4-chloro-5-(chloromethyl)-1-benzothiophene-2-carbaldehyde
CID 130803865
(5-chloro-1-benzothiophen-3-yl)methanol
CID 2776136
1-(2-chlorobenzo[e][1]benzothiol-8-yl)propan-2-one
CID 68943268
(2-fluoro-5-methylsulfanyl-1-benzothiophen-3-yl)methanol
CID 131124486
[5-bromo-6-(chloromethyl)-1-benzothiophen-4-yl]methanol
CID 131145040

Frequently Asked Questions

What is the IUPAC name of [2-chloro-5-(chloromethyl)-1-benzothiophen-4-yl]methanol?
The IUPAC name of [2-chloro-5-(chloromethyl)-1-benzothiophen-4-yl]methanol (CID 131001332) is [2-chloro-5-(chloromethyl)-1-benzothiophen-4-yl]methanol.
What is the SMILES notation for [2-chloro-5-(chloromethyl)-1-benzothiophen-4-yl]methanol?
The canonical SMILES for [2-chloro-5-(chloromethyl)-1-benzothiophen-4-yl]methanol is OCc1c(CCl)ccc2sc(Cl)cc12.
What is the InChIKey of [2-chloro-5-(chloromethyl)-1-benzothiophen-4-yl]methanol?
The InChIKey is QMBKRHMEONGGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2OS/c11-4-6-1-2-9-7(8(6)5-13)3-10(12)14-9/h1-3,13H,4-5H2.
What are the key properties of [2-chloro-5-(chloromethyl)-1-benzothiophen-4-yl]methanol?
[2-chloro-5-(chloromethyl)-1-benzothiophen-4-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 [2-chloro-5-(chloromethyl)-1-benzothiophen-4-yl]methanol is sourced from PubChem (CID 131001332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).