4,5-dichloro-2-ethoxy-1-benzothiophene

C10H8Cl2OS — CID 130785955

IUPAC4,5-dichloro-2-ethoxy-1-benzothiophene
SMILESCCOc1cc2c(Cl)c(Cl)ccc2s1
InChIInChI=1S/C10H8Cl2OS/c1-2-13-9-5-6-8(14-9)4-3-7(11)10(6)12/h3-5H,2H2,1H3
InChIKeySFQGWUXCSPMCOG-UHFFFAOYSA-N
MW247.15 g/mol
LogP4.61
Rot. Bonds2

About 4,5-dichloro-2-ethoxy-1-benzothiophene

4,5-dichloro-2-ethoxy-1-benzothiophene (PubChem CID 130785955) has the molecular formula C10H8Cl2OS and a molecular weight of 247.15 g/mol. Its IUPAC name is 4,5-dichloro-2-ethoxy-1-benzothiophene.

Molecular Properties

Compound Name4,5-dichloro-2-ethoxy-1-benzothiophene
PubChem CID130785955
Molecular FormulaC10H8Cl2OS
Molecular Weight247.15 g/mol
Exact Mass245.97
IUPAC Name4,5-dichloro-2-ethoxy-1-benzothiophene
SMILESCCOc1cc2c(Cl)c(Cl)ccc2s1
InChIInChI=1S/C10H8Cl2OS/c1-2-13-9-5-6-8(14-9)4-3-7(11)10(6)12/h3-5H,2H2,1H3
InChIKeySFQGWUXCSPMCOG-UHFFFAOYSA-N
XLogP4.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.15
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-ethoxy-4-methyl-1-benzothiophene
CID 130866123
5-bromo-2-ethoxy-1-benzothiophene-4-thiol
CID 130866367
4-bromo-2-ethoxy-1-benzothiophen-5-amine
CID 131031143
7,16-dibutoxy-6,17-dithiapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene
CID 118651531
2-bromo-4-chloro-3-ethoxy-1-benzothiophene
CID 131034318
2-ethoxydibenzothiophene
CID 102527162
7-chloro-2-ethoxy-5-iodo-1-benzothiophene
CID 131218419
4-chloro-3-ethoxy-2-methyl-1-benzothiophene
CID 130884989
2-ethoxy-8-methoxydibenzothiophene
CID 172565133
2-bromo-4-chloro-7-ethoxy-1-benzothiophene
CID 131080410
2-ethoxy-7-sulfanyl-1-benzothiophen-4-ol
CID 131145325
2-ethoxythioxanthen-9-one
CID 14150410

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-ethoxy-1-benzothiophene?
The IUPAC name of 4,5-dichloro-2-ethoxy-1-benzothiophene (CID 130785955) is 4,5-dichloro-2-ethoxy-1-benzothiophene.
What is the SMILES notation for 4,5-dichloro-2-ethoxy-1-benzothiophene?
The canonical SMILES for 4,5-dichloro-2-ethoxy-1-benzothiophene is CCOc1cc2c(Cl)c(Cl)ccc2s1.
What is the InChIKey of 4,5-dichloro-2-ethoxy-1-benzothiophene?
The InChIKey is SFQGWUXCSPMCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2OS/c1-2-13-9-5-6-8(14-9)4-3-7(11)10(6)12/h3-5H,2H2,1H3.
What are the key properties of 4,5-dichloro-2-ethoxy-1-benzothiophene?
4,5-dichloro-2-ethoxy-1-benzothiophene has a molecular weight of 247.15 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-ethoxy-1-benzothiophene is sourced from PubChem (CID 130785955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).