1-benzothiophen-7-yl-(4-bromo-3-chlorophenyl)methanol

C15H10BrClOS — CID 115827311

IUPAC1-benzothiophen-7-yl-(4-bromo-3-chlorophenyl)methanol
SMILESOC(c1ccc(Br)c(Cl)c1)c1cccc2ccsc12
InChIInChI=1S/C15H10BrClOS/c16-12-5-4-10(8-13(12)17)14(18)11-3-1-2-9-6-7-19-15(9)11/h1-8,14,18H
InChIKeyRXQNHJBQYFTOIH-UHFFFAOYSA-N
MW353.67 g/mol
LogP5.40
Rot. Bonds2

About 1-benzothiophen-7-yl-(4-bromo-3-chlorophenyl)methanol

1-benzothiophen-7-yl-(4-bromo-3-chlorophenyl)methanol (PubChem CID 115827311) has the molecular formula C15H10BrClOS and a molecular weight of 353.67 g/mol. Its IUPAC name is 1-benzothiophen-7-yl-(4-bromo-3-chlorophenyl)methanol.

Molecular Properties

Compound Name1-benzothiophen-7-yl-(4-bromo-3-chlorophenyl)methanol
PubChem CID115827311
Molecular FormulaC15H10BrClOS
Molecular Weight353.67 g/mol
Exact Mass351.93
IUPAC Name1-benzothiophen-7-yl-(4-bromo-3-chlorophenyl)methanol
SMILESOC(c1ccc(Br)c(Cl)c1)c1cccc2ccsc12
InChIInChI=1S/C15H10BrClOS/c16-12-5-4-10(8-13(12)17)14(18)11-3-1-2-9-6-7-19-15(9)11/h1-8,14,18H
InChIKeyRXQNHJBQYFTOIH-UHFFFAOYSA-N
XLogP5.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.67
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-benzothiophen-7-yl-(4-bromo-3-chlorophenyl)methyl]hydrazine
CID 105327711
1-benzothiophen-7-yl-(5-bromothiophen-3-yl)methanol
CID 105119099
1-benzothiophen-7-yl-(2,5-dibromophenyl)methanol
CID 115827334
1-benzothiophen-7-yl-(3-bromo-5-fluorophenyl)methanol
CID 81154206
1-benzothiophen-7-yl-(3,4-dimethoxyphenyl)methanol
CID 81131841
1-benzothiophen-7-yl-(4-bromothiophen-2-yl)methanol
CID 81154092
1-benzothiophen-7-yl-[4-(dimethylamino)phenyl]methanol
CID 81141860
1-benzothiophen-7-yl-(4-bromo-2-fluorophenyl)methanol
CID 81142904
1-benzothiophen-7-yl-(2-bromofuran-3-yl)methanol
CID 106859446
1-benzothiophen-7-yl-(3-propoxyphenyl)methanol
CID 81131839
1-benzothiophen-7-yl-(2-chloro-6-methoxyphenyl)methanol
CID 104817073
(4-bromo-3-chlorophenyl)-[2-(trifluoromethoxy)phenyl]methanol
CID 115792558

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-7-yl-(4-bromo-3-chlorophenyl)methanol?
The IUPAC name of 1-benzothiophen-7-yl-(4-bromo-3-chlorophenyl)methanol (CID 115827311) is 1-benzothiophen-7-yl-(4-bromo-3-chlorophenyl)methanol.
What is the SMILES notation for 1-benzothiophen-7-yl-(4-bromo-3-chlorophenyl)methanol?
The canonical SMILES for 1-benzothiophen-7-yl-(4-bromo-3-chlorophenyl)methanol is OC(c1ccc(Br)c(Cl)c1)c1cccc2ccsc12.
What is the InChIKey of 1-benzothiophen-7-yl-(4-bromo-3-chlorophenyl)methanol?
The InChIKey is RXQNHJBQYFTOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClOS/c16-12-5-4-10(8-13(12)17)14(18)11-3-1-2-9-6-7-19-15(9)11/h1-8,14,18H.
What are the key properties of 1-benzothiophen-7-yl-(4-bromo-3-chlorophenyl)methanol?
1-benzothiophen-7-yl-(4-bromo-3-chlorophenyl)methanol has a molecular weight of 353.67 g/mol, XLogP of 5.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-7-yl-(4-bromo-3-chlorophenyl)methanol is sourced from PubChem (CID 115827311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).