(7-bromo-1-benzothiophen-3-yl)-(4-bromo-2-chlorophenyl)methanol

C15H9Br2ClOS — CID 81153521

IUPAC(7-bromo-1-benzothiophen-3-yl)-(4-bromo-2-chlorophenyl)methanol
SMILESOC(c1ccc(Br)cc1Cl)c1csc2c(Br)cccc12
InChIInChI=1S/C15H9Br2ClOS/c16-8-4-5-10(13(18)6-8)14(19)11-7-20-15-9(11)2-1-3-12(15)17/h1-7,14,19H
InChIKeyOMOKIKCQEARRCD-UHFFFAOYSA-N
MW432.56 g/mol
LogP6.16
Rot. Bonds2

About (7-bromo-1-benzothiophen-3-yl)-(4-bromo-2-chlorophenyl)methanol

(7-bromo-1-benzothiophen-3-yl)-(4-bromo-2-chlorophenyl)methanol (PubChem CID 81153521) has the molecular formula C15H9Br2ClOS and a molecular weight of 432.56 g/mol. Its IUPAC name is (7-bromo-1-benzothiophen-3-yl)-(4-bromo-2-chlorophenyl)methanol.

Molecular Properties

Compound Name(7-bromo-1-benzothiophen-3-yl)-(4-bromo-2-chlorophenyl)methanol
PubChem CID81153521
Molecular FormulaC15H9Br2ClOS
Molecular Weight432.56 g/mol
Exact Mass429.84
IUPAC Name(7-bromo-1-benzothiophen-3-yl)-(4-bromo-2-chlorophenyl)methanol
SMILESOC(c1ccc(Br)cc1Cl)c1csc2c(Br)cccc12
InChIInChI=1S/C15H9Br2ClOS/c16-8-4-5-10(13(18)6-8)14(19)11-7-20-15-9(11)2-1-3-12(15)17/h1-7,14,19H
InChIKeyOMOKIKCQEARRCD-UHFFFAOYSA-N
XLogP6.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.56
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(7-bromo-1-benzothiophen-3-yl)-(5-bromo-2-fluorophenyl)methanol
CID 81154055
(7-bromo-1-benzothiophen-3-yl)-(3-chloro-2-methylphenyl)methanol
CID 107098916
7-bromo-3-[bromo-(2,4-dichlorophenyl)methyl]-1-benzothiophene
CID 81147356
(7-bromo-1-benzothiophen-3-yl)-(2-iodophenyl)methanol
CID 81153133
(7-bromo-1-benzothiophen-3-yl)-(3-chloro-5-methylphenyl)methanol
CID 81324957
(7-bromo-1-benzothiophen-3-yl)-(2,3-difluorophenyl)methanol
CID 81153735
(7-bromo-1-benzothiophen-3-yl)-(3-methylphenyl)methanol
CID 81153234
(7-bromo-1-benzothiophen-3-yl)-(2-methoxyphenyl)methanol
CID 81153527
(7-bromo-1-benzothiophen-3-yl)-(3,4,5-trifluorophenyl)methanol
CID 81128771
(7-bromo-1-benzothiophen-3-yl)-(2-fluoro-5-methylphenyl)methanol
CID 81153432
7-bromo-3-[bromo-(3-chlorothiophen-2-yl)methyl]-1-benzothiophene
CID 81148280
7-bromo-3-(1-chloroethyl)-1-benzothiophene
CID 81146817

Frequently Asked Questions

What is the IUPAC name of (7-bromo-1-benzothiophen-3-yl)-(4-bromo-2-chlorophenyl)methanol?
The IUPAC name of (7-bromo-1-benzothiophen-3-yl)-(4-bromo-2-chlorophenyl)methanol (CID 81153521) is (7-bromo-1-benzothiophen-3-yl)-(4-bromo-2-chlorophenyl)methanol.
What is the SMILES notation for (7-bromo-1-benzothiophen-3-yl)-(4-bromo-2-chlorophenyl)methanol?
The canonical SMILES for (7-bromo-1-benzothiophen-3-yl)-(4-bromo-2-chlorophenyl)methanol is OC(c1ccc(Br)cc1Cl)c1csc2c(Br)cccc12.
What is the InChIKey of (7-bromo-1-benzothiophen-3-yl)-(4-bromo-2-chlorophenyl)methanol?
The InChIKey is OMOKIKCQEARRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Br2ClOS/c16-8-4-5-10(13(18)6-8)14(19)11-7-20-15-9(11)2-1-3-12(15)17/h1-7,14,19H.
What are the key properties of (7-bromo-1-benzothiophen-3-yl)-(4-bromo-2-chlorophenyl)methanol?
(7-bromo-1-benzothiophen-3-yl)-(4-bromo-2-chlorophenyl)methanol has a molecular weight of 432.56 g/mol, XLogP of 6.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-1-benzothiophen-3-yl)-(4-bromo-2-chlorophenyl)methanol is sourced from PubChem (CID 81153521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).