(4-bromo-3-chlorophenyl)-(4-bromo-5-chlorothiophen-2-yl)methanol

C11H6Br2Cl2OS — CID 102835178

IUPAC(4-bromo-3-chlorophenyl)-(4-bromo-5-chlorothiophen-2-yl)methanol
SMILESOC(c1ccc(Br)c(Cl)c1)c1cc(Br)c(Cl)s1
InChIInChI=1S/C11H6Br2Cl2OS/c12-6-2-1-5(3-8(6)14)10(16)9-4-7(13)11(15)17-9/h1-4,10,16H
InChIKeyRBSCLXYTSYYWLW-UHFFFAOYSA-N
MW416.95 g/mol
LogP5.66
Rot. Bonds2

About (4-bromo-3-chlorophenyl)-(4-bromo-5-chlorothiophen-2-yl)methanol

(4-bromo-3-chlorophenyl)-(4-bromo-5-chlorothiophen-2-yl)methanol (PubChem CID 102835178) has the molecular formula C11H6Br2Cl2OS and a molecular weight of 416.95 g/mol. Its IUPAC name is (4-bromo-3-chlorophenyl)-(4-bromo-5-chlorothiophen-2-yl)methanol.

Molecular Properties

Compound Name(4-bromo-3-chlorophenyl)-(4-bromo-5-chlorothiophen-2-yl)methanol
PubChem CID102835178
Molecular FormulaC11H6Br2Cl2OS
Molecular Weight416.95 g/mol
Exact Mass413.79
IUPAC Name(4-bromo-3-chlorophenyl)-(4-bromo-5-chlorothiophen-2-yl)methanol
SMILESOC(c1ccc(Br)c(Cl)c1)c1cc(Br)c(Cl)s1
InChIInChI=1S/C11H6Br2Cl2OS/c12-6-2-1-5(3-8(6)14)10(16)9-4-7(13)11(15)17-9/h1-4,10,16H
InChIKeyRBSCLXYTSYYWLW-UHFFFAOYSA-N
XLogP5.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.95
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-5-chlorothiophen-2-yl)-(4-phenylphenyl)methanol
CID 102829826
(4-bromo-5-methylthiophen-2-yl)-(3,4-dichlorophenyl)methanol
CID 102829537
(4-bromo-5-chlorothiophen-2-yl)-(2-chlorophenyl)methanol
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(4-bromo-5-chlorothiophen-2-yl)-pyrimidin-5-ylmethanol
CID 102829986
(4-bromo-5-methylthiophen-2-yl)-(3-chloro-4-methylphenyl)methanol
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(4-bromo-5-chlorothiophen-2-yl)-(4-cyclopropyloxyphenyl)methanol
CID 102830279
(4-bromo-3-chlorophenyl)-(3-chloro-4-methylphenyl)methanol
CID 107562230
(4-bromo-3-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanol
CID 81293215
(4-bromo-5-chlorothiophen-2-yl)-(3-chloro-2-methylphenyl)methanol
CID 107098965
(4-bromo-3-chlorophenyl)-(2,3-dihydrofuran-5-yl)methanol
CID 102653924
(3-chloro-4-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanol
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(4-bromo-3-chlorophenyl)-(furan-2-yl)methanol
CID 115797505

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-chlorophenyl)-(4-bromo-5-chlorothiophen-2-yl)methanol?
The IUPAC name of (4-bromo-3-chlorophenyl)-(4-bromo-5-chlorothiophen-2-yl)methanol (CID 102835178) is (4-bromo-3-chlorophenyl)-(4-bromo-5-chlorothiophen-2-yl)methanol.
What is the SMILES notation for (4-bromo-3-chlorophenyl)-(4-bromo-5-chlorothiophen-2-yl)methanol?
The canonical SMILES for (4-bromo-3-chlorophenyl)-(4-bromo-5-chlorothiophen-2-yl)methanol is OC(c1ccc(Br)c(Cl)c1)c1cc(Br)c(Cl)s1.
What is the InChIKey of (4-bromo-3-chlorophenyl)-(4-bromo-5-chlorothiophen-2-yl)methanol?
The InChIKey is RBSCLXYTSYYWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Br2Cl2OS/c12-6-2-1-5(3-8(6)14)10(16)9-4-7(13)11(15)17-9/h1-4,10,16H.
What are the key properties of (4-bromo-3-chlorophenyl)-(4-bromo-5-chlorothiophen-2-yl)methanol?
(4-bromo-3-chlorophenyl)-(4-bromo-5-chlorothiophen-2-yl)methanol has a molecular weight of 416.95 g/mol, XLogP of 5.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-chlorophenyl)-(4-bromo-5-chlorothiophen-2-yl)methanol is sourced from PubChem (CID 102835178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).