(2-chloro-4-ethyl-1-benzothiophen-3-yl)methanol

C11H11ClOS — CID 131217352

IUPAC(2-chloro-4-ethyl-1-benzothiophen-3-yl)methanol
SMILESCCc1cccc2sc(Cl)c(CO)c12
InChIInChI=1S/C11H11ClOS/c1-2-7-4-3-5-9-10(7)8(6-13)11(12)14-9/h3-5,13H,2,6H2,1H3
InChIKeyKCPJHVPNVFWAEB-UHFFFAOYSA-N
MW226.73 g/mol
LogP3.61
Rot. Bonds2

About (2-chloro-4-ethyl-1-benzothiophen-3-yl)methanol

(2-chloro-4-ethyl-1-benzothiophen-3-yl)methanol (PubChem CID 131217352) has the molecular formula C11H11ClOS and a molecular weight of 226.73 g/mol. Its IUPAC name is (2-chloro-4-ethyl-1-benzothiophen-3-yl)methanol.

Molecular Properties

Compound Name(2-chloro-4-ethyl-1-benzothiophen-3-yl)methanol
PubChem CID131217352
Molecular FormulaC11H11ClOS
Molecular Weight226.73 g/mol
Exact Mass226.02
IUPAC Name(2-chloro-4-ethyl-1-benzothiophen-3-yl)methanol
SMILESCCc1cccc2sc(Cl)c(CO)c12
InChIInChI=1S/C11H11ClOS/c1-2-7-4-3-5-9-10(7)8(6-13)11(12)14-9/h3-5,13H,2,6H2,1H3
InChIKeyKCPJHVPNVFWAEB-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-bromo-4-(chloromethyl)-1-benzothiophen-3-yl]methanol
CID 131033753
4-ethyl-3-methoxy-1-benzothiophene-2-thiol
CID 131124437
4-(chloromethyl)-3-ethyl-2-iodo-1-benzothiophene
CID 131218656
4-ethyl-3-methyl-1-benzothiophene-2-carboxylic acid
CID 91882104
[4-(bromomethyl)-2-fluoro-1-benzothiophen-3-yl]methanol
CID 130792423
(2-ethyl-6-methylphenyl)methanol
CID 52987948
(8-ethylnaphthalen-1-yl)methanol
CID 59514335
(3-chloro-2-ethylphenyl)methanol
CID 118269686
4-(hydroxymethyl)-3-sulfanyl-1-benzothiophen-2-ol
CID 130971294
2-(2-chloro-3-hydroxy-1-benzothiophen-4-yl)acetonitrile
CID 131218580
(4-amino-2-sulfanyl-1-benzothiophen-3-yl)methanol
CID 130820936
(4-fluoro-2-methyl-1-benzothiophen-3-yl)methanol
CID 130855351

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-ethyl-1-benzothiophen-3-yl)methanol?
The IUPAC name of (2-chloro-4-ethyl-1-benzothiophen-3-yl)methanol (CID 131217352) is (2-chloro-4-ethyl-1-benzothiophen-3-yl)methanol.
What is the SMILES notation for (2-chloro-4-ethyl-1-benzothiophen-3-yl)methanol?
The canonical SMILES for (2-chloro-4-ethyl-1-benzothiophen-3-yl)methanol is CCc1cccc2sc(Cl)c(CO)c12.
What is the InChIKey of (2-chloro-4-ethyl-1-benzothiophen-3-yl)methanol?
The InChIKey is KCPJHVPNVFWAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClOS/c1-2-7-4-3-5-9-10(7)8(6-13)11(12)14-9/h3-5,13H,2,6H2,1H3.
What are the key properties of (2-chloro-4-ethyl-1-benzothiophen-3-yl)methanol?
(2-chloro-4-ethyl-1-benzothiophen-3-yl)methanol has a molecular weight of 226.73 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-ethyl-1-benzothiophen-3-yl)methanol is sourced from PubChem (CID 131217352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).