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

C11H11ClOS — CID 131080320

IUPAC(6-chloro-4-ethyl-1-benzothiophen-2-yl)methanol
SMILESCCc1cc(Cl)cc2sc(CO)cc12
InChIInChI=1S/C11H11ClOS/c1-2-7-3-8(12)4-11-10(7)5-9(6-13)14-11/h3-5,13H,2,6H2,1H3
InChIKeyZWYAYKQUXFQHSZ-UHFFFAOYSA-N
MW226.73 g/mol
LogP3.61
Rot. Bonds2

About (6-chloro-4-ethyl-1-benzothiophen-2-yl)methanol

(6-chloro-4-ethyl-1-benzothiophen-2-yl)methanol (PubChem CID 131080320) has the molecular formula C11H11ClOS and a molecular weight of 226.73 g/mol. Its IUPAC name is (6-chloro-4-ethyl-1-benzothiophen-2-yl)methanol.

Molecular Properties

Compound Name(6-chloro-4-ethyl-1-benzothiophen-2-yl)methanol
PubChem CID131080320
Molecular FormulaC11H11ClOS
Molecular Weight226.73 g/mol
Exact Mass226.02
IUPAC Name(6-chloro-4-ethyl-1-benzothiophen-2-yl)methanol
SMILESCCc1cc(Cl)cc2sc(CO)cc12
InChIInChI=1S/C11H11ClOS/c1-2-7-3-8(12)4-11-10(7)5-9(6-13)14-11/h3-5,13H,2,6H2,1H3
InChIKeyZWYAYKQUXFQHSZ-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

(4-chloro-6-sulfanyl-1-benzothiophen-2-yl)methanol
CID 130792451
5-chloro-2-(hydroxymethyl)-1-benzothiophene-4-carbaldehyde
CID 131030809
(5-chloro-1-benzothiophen-2-yl)methanol
CID 23340421
(6-fluoro-4-sulfanyl-1-benzothiophen-2-yl)methanol
CID 130854599
(4,5-dimethyl-1-benzothiophen-2-yl)methanol
CID 131190841
[7-[5-chloro-2-(cyclobutylmethoxy)-3-ethylphenyl]thieno[3,2-b]pyridin-2-yl]methanol
CID 159974354
1,5-dichloro-3-ethyl-2-methoxybenzene
CID 71215672
(6-amino-4-methylsulfanyl-1-benzothiophen-2-yl)methanol
CID 130870472
4-chloro-2,6-diethylaniline
CID 14348967
(6-chloro-3-methyl-1-benzothiophen-4-yl)methanol
CID 130884325
(5-chloro-3-ethyl-2-methoxyphenyl)phosphane
CID 142101436
1,2,5-trichloro-3-ethylbenzene
CID 70861390

Frequently Asked Questions

What is the IUPAC name of (6-chloro-4-ethyl-1-benzothiophen-2-yl)methanol?
The IUPAC name of (6-chloro-4-ethyl-1-benzothiophen-2-yl)methanol (CID 131080320) is (6-chloro-4-ethyl-1-benzothiophen-2-yl)methanol.
What is the SMILES notation for (6-chloro-4-ethyl-1-benzothiophen-2-yl)methanol?
The canonical SMILES for (6-chloro-4-ethyl-1-benzothiophen-2-yl)methanol is CCc1cc(Cl)cc2sc(CO)cc12.
What is the InChIKey of (6-chloro-4-ethyl-1-benzothiophen-2-yl)methanol?
The InChIKey is ZWYAYKQUXFQHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClOS/c1-2-7-3-8(12)4-11-10(7)5-9(6-13)14-11/h3-5,13H,2,6H2,1H3.
What are the key properties of (6-chloro-4-ethyl-1-benzothiophen-2-yl)methanol?
(6-chloro-4-ethyl-1-benzothiophen-2-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 (6-chloro-4-ethyl-1-benzothiophen-2-yl)methanol is sourced from PubChem (CID 131080320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).