7-chloro-3-(chloromethyl)-6-methoxy-1-benzothiophene

C10H8Cl2OS — CID 131029505

IUPAC7-chloro-3-(chloromethyl)-6-methoxy-1-benzothiophene
SMILESCOc1ccc2c(CCl)csc2c1Cl
InChIInChI=1S/C10H8Cl2OS/c1-13-8-3-2-7-6(4-11)5-14-10(7)9(8)12/h2-3,5H,4H2,1H3
InChIKeyMASCOTQDEBGEQJ-UHFFFAOYSA-N
MW247.15 g/mol
LogP4.30
Rot. Bonds2

About 7-chloro-3-(chloromethyl)-6-methoxy-1-benzothiophene

7-chloro-3-(chloromethyl)-6-methoxy-1-benzothiophene (PubChem CID 131029505) has the molecular formula C10H8Cl2OS and a molecular weight of 247.15 g/mol. Its IUPAC name is 7-chloro-3-(chloromethyl)-6-methoxy-1-benzothiophene.

Molecular Properties

Compound Name7-chloro-3-(chloromethyl)-6-methoxy-1-benzothiophene
PubChem CID131029505
Molecular FormulaC10H8Cl2OS
Molecular Weight247.15 g/mol
Exact Mass245.97
IUPAC Name7-chloro-3-(chloromethyl)-6-methoxy-1-benzothiophene
SMILESCOc1ccc2c(CCl)csc2c1Cl
InChIInChI=1S/C10H8Cl2OS/c1-13-8-3-2-7-6(4-11)5-14-10(7)9(8)12/h2-3,5H,4H2,1H3
InChIKeyMASCOTQDEBGEQJ-UHFFFAOYSA-N
XLogP4.30
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 ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(chloromethyl)-6-methoxy-1-benzothiophen-7-amine
CID 131190920
6-(chloromethyl)-3-methoxy-1-benzothiophen-7-amine
CID 131215542
4-(chloromethyl)-3-methoxy-7-methyl-1-benzothiophene
CID 130898608
methyl 2-(6-methoxy-7-methyl-1-benzothiophen-3-yl)acetate
CID 131734521
7-(chloromethyl)-4-fluoro-3-methoxy-1-benzothiophene
CID 131146423
3-(chloromethyl)-6-methylsulfanyl-1-benzothiophen-7-amine
CID 131138200
7-(chloromethyl)-3-methoxy-1-benzothiophene-6-thiol
CID 131146664
7-chloro-6-methoxy-2-methyl-1,3-benzothiazole
CID 134106377
7-(chloromethyl)-4-methoxy-2-methyl-1-benzothiophene
CID 130985677
2-chloro-3-(chloromethyl)-1-methoxy-4-methylbenzene
CID 171008417
7-chloro-3-ethyl-1-benzothiophene-6-carbonitrile
CID 130971755
3,7-dichloro-N-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-1-benzothiophene-2-carboxamide
CID 1246927

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(chloromethyl)-6-methoxy-1-benzothiophene?
The IUPAC name of 7-chloro-3-(chloromethyl)-6-methoxy-1-benzothiophene (CID 131029505) is 7-chloro-3-(chloromethyl)-6-methoxy-1-benzothiophene.
What is the SMILES notation for 7-chloro-3-(chloromethyl)-6-methoxy-1-benzothiophene?
The canonical SMILES for 7-chloro-3-(chloromethyl)-6-methoxy-1-benzothiophene is COc1ccc2c(CCl)csc2c1Cl.
What is the InChIKey of 7-chloro-3-(chloromethyl)-6-methoxy-1-benzothiophene?
The InChIKey is MASCOTQDEBGEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2OS/c1-13-8-3-2-7-6(4-11)5-14-10(7)9(8)12/h2-3,5H,4H2,1H3.
What are the key properties of 7-chloro-3-(chloromethyl)-6-methoxy-1-benzothiophene?
7-chloro-3-(chloromethyl)-6-methoxy-1-benzothiophene has a molecular weight of 247.15 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(chloromethyl)-6-methoxy-1-benzothiophene is sourced from PubChem (CID 131029505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).