4-chloro-3-(ethoxymethyl)-1-benzothiophene

C11H11ClOS — CID 117170982

IUPAC4-chloro-3-(ethoxymethyl)-1-benzothiophene
SMILESCCOCc1csc2cccc(Cl)c12
InChIInChI=1S/C11H11ClOS/c1-2-13-6-8-7-14-10-5-3-4-9(12)11(8)10/h3-5,7H,2,6H2,1H3
InChIKeyNQHXABZWQOALMA-UHFFFAOYSA-N
MW226.73 g/mol
LogP4.09
Rot. Bonds3

About 4-chloro-3-(ethoxymethyl)-1-benzothiophene

4-chloro-3-(ethoxymethyl)-1-benzothiophene (PubChem CID 117170982) has the molecular formula C11H11ClOS and a molecular weight of 226.73 g/mol. Its IUPAC name is 4-chloro-3-(ethoxymethyl)-1-benzothiophene.

Molecular Properties

Compound Name4-chloro-3-(ethoxymethyl)-1-benzothiophene
PubChem CID117170982
Molecular FormulaC11H11ClOS
Molecular Weight226.73 g/mol
Exact Mass226.02
IUPAC Name4-chloro-3-(ethoxymethyl)-1-benzothiophene
SMILESCCOCc1csc2cccc(Cl)c12
InChIInChI=1S/C11H11ClOS/c1-2-13-6-8-7-14-10-5-3-4-9(12)11(8)10/h3-5,7H,2,6H2,1H3
InChIKeyNQHXABZWQOALMA-UHFFFAOYSA-N
XLogP4.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.73
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(ethoxymethyl)-4-methyl-1-benzothiophene
CID 117184524
3-[(4-chloro-1-benzothiophen-3-yl)methoxy]pyridine
CID 117170950
3-(4-chloro-1-benzothiophen-3-yl)propan-1-amine
CID 117119291
3-[(2-chlorophenoxy)methyl]-1-benzothiophen-4-ol
CID 117170889
2-chloro-N-[(4-chloro-1-benzothiophen-3-yl)methyl]acetamide
CID 166432160
methyl 4-chloro-1-benzothiophene-3-carboxylate
CID 76854084
3-(ethoxymethyl)-7-fluoro-1-benzothiophene
CID 117181592
1,2-dichlorobenzene;ethoxyethane
CID 68845412
2-(4-chloro-1-benzothiophen-3-yl)propan-1-ol
CID 117119273
3-[(3-chlorophenoxy)methyl]-1-benzothiophen-4-ol
CID 117170911
4-chloro-3-ethoxy-2-methyl-1-benzothiophene
CID 130884989
1,8-dichloro-9,10-diethoxyanthracene
CID 139930191

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(ethoxymethyl)-1-benzothiophene?
The IUPAC name of 4-chloro-3-(ethoxymethyl)-1-benzothiophene (CID 117170982) is 4-chloro-3-(ethoxymethyl)-1-benzothiophene.
What is the SMILES notation for 4-chloro-3-(ethoxymethyl)-1-benzothiophene?
The canonical SMILES for 4-chloro-3-(ethoxymethyl)-1-benzothiophene is CCOCc1csc2cccc(Cl)c12.
What is the InChIKey of 4-chloro-3-(ethoxymethyl)-1-benzothiophene?
The InChIKey is NQHXABZWQOALMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClOS/c1-2-13-6-8-7-14-10-5-3-4-9(12)11(8)10/h3-5,7H,2,6H2,1H3.
What are the key properties of 4-chloro-3-(ethoxymethyl)-1-benzothiophene?
4-chloro-3-(ethoxymethyl)-1-benzothiophene has a molecular weight of 226.73 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(ethoxymethyl)-1-benzothiophene is sourced from PubChem (CID 117170982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).