6,7-dichloro-2-cyclohexyl-5-methoxy-1-benzothiophene

C15H16Cl2OS — CID 13290035

IUPAC6,7-dichloro-2-cyclohexyl-5-methoxy-1-benzothiophene
SMILESCOc1cc2cc(C3CCCCC3)sc2c(Cl)c1Cl
InChIInChI=1S/C15H16Cl2OS/c1-18-11-7-10-8-12(9-5-3-2-4-6-9)19-15(10)14(17)13(11)16/h7-9H,2-6H2,1H3
InChIKeyZTOVITQMRBOFMF-UHFFFAOYSA-N
MW315.27 g/mol
LogP6.26
Rot. Bonds2

About 6,7-dichloro-2-cyclohexyl-5-methoxy-1-benzothiophene

6,7-dichloro-2-cyclohexyl-5-methoxy-1-benzothiophene (PubChem CID 13290035) has the molecular formula C15H16Cl2OS and a molecular weight of 315.27 g/mol. Its IUPAC name is 6,7-dichloro-2-cyclohexyl-5-methoxy-1-benzothiophene.

Molecular Properties

Compound Name6,7-dichloro-2-cyclohexyl-5-methoxy-1-benzothiophene
PubChem CID13290035
Molecular FormulaC15H16Cl2OS
Molecular Weight315.27 g/mol
Exact Mass314.03
IUPAC Name6,7-dichloro-2-cyclohexyl-5-methoxy-1-benzothiophene
SMILESCOc1cc2cc(C3CCCCC3)sc2c(Cl)c1Cl
InChIInChI=1S/C15H16Cl2OS/c1-18-11-7-10-8-12(9-5-3-2-4-6-9)19-15(10)14(17)13(11)16/h7-9H,2-6H2,1H3
InChIKeyZTOVITQMRBOFMF-UHFFFAOYSA-N
XLogP6.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.27
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-cyclohexyl-1-methoxybenzene
CID 71228183
3-bromo-5-cyclohexyl-2-methylthiophene
CID 102297438
3-chloro-5-cyclopentyl-2-methylthiophene;ethane
CID 142451002
2-chloro-5-cyclohexylthiophene-3-carboxylic acid
CID 114748450
methyl 3-amino-5-cyclododecylthiophene-2-carboxylate
CID 123337713
1-cyclohexyl-6,7-dimethoxyisoquinoline
CID 70208603
4-chloro-6-cyclohexyl-3-methoxypyridazine
CID 117107222
5-chloro-6-cyclopentyl-2-methoxypyridin-3-amine
CID 105484225
5-chloro-2-cyclopropyl-6,8-dimethoxyquinolin-4-amine
CID 63357745
5-chloro-N-cyclohexyl-6-methoxy-1,3-benzothiazol-2-amine
CID 82549300
6-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-2-cyclohexylthieno[2,3-d]pyrimidin-4-amine
CID 57279027
2-cyclooctyl-5,6-dimethoxy-1H-benzimidazole
CID 65023198

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-2-cyclohexyl-5-methoxy-1-benzothiophene?
The IUPAC name of 6,7-dichloro-2-cyclohexyl-5-methoxy-1-benzothiophene (CID 13290035) is 6,7-dichloro-2-cyclohexyl-5-methoxy-1-benzothiophene.
What is the SMILES notation for 6,7-dichloro-2-cyclohexyl-5-methoxy-1-benzothiophene?
The canonical SMILES for 6,7-dichloro-2-cyclohexyl-5-methoxy-1-benzothiophene is COc1cc2cc(C3CCCCC3)sc2c(Cl)c1Cl.
What is the InChIKey of 6,7-dichloro-2-cyclohexyl-5-methoxy-1-benzothiophene?
The InChIKey is ZTOVITQMRBOFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2OS/c1-18-11-7-10-8-12(9-5-3-2-4-6-9)19-15(10)14(17)13(11)16/h7-9H,2-6H2,1H3.
What are the key properties of 6,7-dichloro-2-cyclohexyl-5-methoxy-1-benzothiophene?
6,7-dichloro-2-cyclohexyl-5-methoxy-1-benzothiophene has a molecular weight of 315.27 g/mol, XLogP of 6.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-2-cyclohexyl-5-methoxy-1-benzothiophene is sourced from PubChem (CID 13290035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).