7-(chloromethyl)-6-ethyl-1-benzothiophen-3-ol

C11H11ClOS — CID 130987982

IUPAC7-(chloromethyl)-6-ethyl-1-benzothiophen-3-ol
SMILESCCc1ccc2c(O)csc2c1CCl
InChIInChI=1S/C11H11ClOS/c1-2-7-3-4-8-10(13)6-14-11(8)9(7)5-12/h3-4,6,13H,2,5H2,1H3
InChIKeyVRCRMQJLFZSXKF-UHFFFAOYSA-N
MW226.73 g/mol
LogP3.91
Rot. Bonds2

About 7-(chloromethyl)-6-ethyl-1-benzothiophen-3-ol

7-(chloromethyl)-6-ethyl-1-benzothiophen-3-ol (PubChem CID 130987982) has the molecular formula C11H11ClOS and a molecular weight of 226.73 g/mol. Its IUPAC name is 7-(chloromethyl)-6-ethyl-1-benzothiophen-3-ol.

Molecular Properties

Compound Name7-(chloromethyl)-6-ethyl-1-benzothiophen-3-ol
PubChem CID130987982
Molecular FormulaC11H11ClOS
Molecular Weight226.73 g/mol
Exact Mass226.02
IUPAC Name7-(chloromethyl)-6-ethyl-1-benzothiophen-3-ol
SMILESCCc1ccc2c(O)csc2c1CCl
InChIInChI=1S/C11H11ClOS/c1-2-7-3-4-8-10(13)6-14-11(8)9(7)5-12/h3-4,6,13H,2,5H2,1H3
InChIKeyVRCRMQJLFZSXKF-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 7-(chloromethyl)-6-ethyl-1-benzothiophen-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(chloromethyl)-6-iodo-1-benzothiophen-3-ol
CID 130971126
3-(chloromethyl)-4-ethylbenzene-1,2-diol
CID 154435867
3-chloro-6-(chloromethyl)-7-ethyl-1-benzothiophene
CID 130985190
[3-amino-7-(chloromethyl)-1-benzothiophen-6-yl]methanol
CID 130914343
3-chloro-6-ethyl-1-benzothiophen-7-ol
CID 130865255
7-ethyl-1-benzothiophene-3,5-diol
CID 130785990
6-(hydroxymethyl)-7-iodo-1-benzothiophen-3-ol
CID 130961297
7-(chloromethyl)-6-ethyl-2-methyl-1-benzothiophene
CID 130870579
7-ethyl-4-methylsulfanyl-1-benzothiophen-3-ol
CID 131223384
4-ethyl-3-hydroxy-1-benzothiophene-7-carbaldehyde
CID 130942152
7-chloro-6-ethyl-3-methyl-1-benzothiophene
CID 91881894
4-(chloromethyl)-3-hydroxy-1-benzothiophene-7-carbaldehyde
CID 131146675

Frequently Asked Questions

What is the IUPAC name of 7-(chloromethyl)-6-ethyl-1-benzothiophen-3-ol?
The IUPAC name of 7-(chloromethyl)-6-ethyl-1-benzothiophen-3-ol (CID 130987982) is 7-(chloromethyl)-6-ethyl-1-benzothiophen-3-ol.
What is the SMILES notation for 7-(chloromethyl)-6-ethyl-1-benzothiophen-3-ol?
The canonical SMILES for 7-(chloromethyl)-6-ethyl-1-benzothiophen-3-ol is CCc1ccc2c(O)csc2c1CCl.
What is the InChIKey of 7-(chloromethyl)-6-ethyl-1-benzothiophen-3-ol?
The InChIKey is VRCRMQJLFZSXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClOS/c1-2-7-3-4-8-10(13)6-14-11(8)9(7)5-12/h3-4,6,13H,2,5H2,1H3.
What are the key properties of 7-(chloromethyl)-6-ethyl-1-benzothiophen-3-ol?
7-(chloromethyl)-6-ethyl-1-benzothiophen-3-ol has a molecular weight of 226.73 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(chloromethyl)-6-ethyl-1-benzothiophen-3-ol is sourced from PubChem (CID 130987982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).