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

C11H7BrCl2OS — CID 107359087

IUPAC(2-bromo-5-chlorophenyl)-(3-chlorothiophen-2-yl)methanol
SMILESOC(c1cc(Cl)ccc1Br)c1sccc1Cl
InChIInChI=1S/C11H7BrCl2OS/c12-8-2-1-6(13)5-7(8)10(15)11-9(14)3-4-16-11/h1-5,10,15H
InChIKeyUMGZLKHEGCGWBM-UHFFFAOYSA-N
MW338.05 g/mol
LogP4.90
Rot. Bonds2

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

(2-bromo-5-chlorophenyl)-(3-chlorothiophen-2-yl)methanol (PubChem CID 107359087) has the molecular formula C11H7BrCl2OS and a molecular weight of 338.05 g/mol. Its IUPAC name is (2-bromo-5-chlorophenyl)-(3-chlorothiophen-2-yl)methanol.

Molecular Properties

Compound Name(2-bromo-5-chlorophenyl)-(3-chlorothiophen-2-yl)methanol
PubChem CID107359087
Molecular FormulaC11H7BrCl2OS
Molecular Weight338.05 g/mol
Exact Mass335.88
IUPAC Name(2-bromo-5-chlorophenyl)-(3-chlorothiophen-2-yl)methanol
SMILESOC(c1cc(Cl)ccc1Br)c1sccc1Cl
InChIInChI=1S/C11H7BrCl2OS/c12-8-2-1-6(13)5-7(8)10(15)11-9(14)3-4-16-11/h1-5,10,15H
InChIKeyUMGZLKHEGCGWBM-UHFFFAOYSA-N
XLogP4.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.05
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-2-fluorophenyl)-(3-chlorothiophen-2-yl)methanol
CID 80529355
(4-chloro-2-fluorophenyl)-(3-chlorothiophen-2-yl)methanol
CID 80530486
(3-bromo-5-chloro-2-methoxyphenyl)-(3-chlorothiophen-2-yl)methanol
CID 80642254
(3-bromothiophen-2-yl)-(5-chloro-2-fluorophenyl)methanol
CID 80535916
(4-bromothiophen-3-yl)-(3-chlorothiophen-2-yl)methanol
CID 115820110
(5-bromo-2-chlorophenyl)-(3-chlorothiophen-2-yl)methanol
CID 80530430
bis(3-chlorothiophen-2-yl)methanol
CID 80642135
(2-bromo-4,5-diethoxyphenyl)-(3-chlorothiophen-2-yl)methanol
CID 80644142
(3-bromo-2-methylphenyl)-(3-chlorothiophen-2-yl)methanol
CID 80530211
(4-bromo-5-methylthiophen-2-yl)-(3-chlorothiophen-2-yl)methanol
CID 102834578
(3-chlorothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol
CID 80641878
(3-chlorothiophen-2-yl)-(2,5-dimethylphenyl)methanol
CID 80530277

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-chlorophenyl)-(3-chlorothiophen-2-yl)methanol?
The IUPAC name of (2-bromo-5-chlorophenyl)-(3-chlorothiophen-2-yl)methanol (CID 107359087) is (2-bromo-5-chlorophenyl)-(3-chlorothiophen-2-yl)methanol.
What is the SMILES notation for (2-bromo-5-chlorophenyl)-(3-chlorothiophen-2-yl)methanol?
The canonical SMILES for (2-bromo-5-chlorophenyl)-(3-chlorothiophen-2-yl)methanol is OC(c1cc(Cl)ccc1Br)c1sccc1Cl.
What is the InChIKey of (2-bromo-5-chlorophenyl)-(3-chlorothiophen-2-yl)methanol?
The InChIKey is UMGZLKHEGCGWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrCl2OS/c12-8-2-1-6(13)5-7(8)10(15)11-9(14)3-4-16-11/h1-5,10,15H.
What are the key properties of (2-bromo-5-chlorophenyl)-(3-chlorothiophen-2-yl)methanol?
(2-bromo-5-chlorophenyl)-(3-chlorothiophen-2-yl)methanol has a molecular weight of 338.05 g/mol, XLogP of 4.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-chlorophenyl)-(3-chlorothiophen-2-yl)methanol is sourced from PubChem (CID 107359087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).