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

C11H7BrCl2OS — CID 80530430

IUPAC(5-bromo-2-chlorophenyl)-(3-chlorothiophen-2-yl)methanol
SMILESOC(c1cc(Br)ccc1Cl)c1sccc1Cl
InChIInChI=1S/C11H7BrCl2OS/c12-6-1-2-8(13)7(5-6)10(15)11-9(14)3-4-16-11/h1-5,10,15H
InChIKeyVDDNCEAGBSBBCP-UHFFFAOYSA-N
MW338.05 g/mol
LogP4.90
Rot. Bonds2

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

(5-bromo-2-chlorophenyl)-(3-chlorothiophen-2-yl)methanol (PubChem CID 80530430) has the molecular formula C11H7BrCl2OS and a molecular weight of 338.05 g/mol. Its IUPAC name is (5-bromo-2-chlorophenyl)-(3-chlorothiophen-2-yl)methanol.

Molecular Properties

Compound Name(5-bromo-2-chlorophenyl)-(3-chlorothiophen-2-yl)methanol
PubChem CID80530430
Molecular FormulaC11H7BrCl2OS
Molecular Weight338.05 g/mol
Exact Mass335.88
IUPAC Name(5-bromo-2-chlorophenyl)-(3-chlorothiophen-2-yl)methanol
SMILESOC(c1cc(Br)ccc1Cl)c1sccc1Cl
InChIInChI=1S/C11H7BrCl2OS/c12-6-1-2-8(13)7(5-6)10(15)11-9(14)3-4-16-11/h1-5,10,15H
InChIKeyVDDNCEAGBSBBCP-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

bis(3-chlorothiophen-2-yl)methanol
CID 80642135
(2-bromo-5-chlorophenyl)-(3-chlorothiophen-2-yl)methanol
CID 107359087
(4-bromothiophen-3-yl)-(3-chlorothiophen-2-yl)methanol
CID 115820110
2-[bromo-(5-bromo-2-methylphenyl)methyl]-3-chlorothiophene
CID 80531892
(5-chloro-2-fluorophenyl)-(3-chlorothiophen-2-yl)methanol
CID 80529355
2-[(5-bromo-2-methylphenyl)-chloromethyl]-3-chlorothiophene
CID 80530319
(4-chloro-2-fluorophenyl)-(3-chlorothiophen-2-yl)methanol
CID 80530486
(5-bromo-2-chlorophenyl)-(2,5-dibromothiophen-3-yl)methanol
CID 63426559
(3-bromo-5-chloro-2-methoxyphenyl)-(3-chlorothiophen-2-yl)methanol
CID 80642254
(3-bromo-2-methylphenyl)-(3-chlorothiophen-2-yl)methanol
CID 80530211
(2-bromo-4,5-diethoxyphenyl)-(3-chlorothiophen-2-yl)methanol
CID 80644142
(3-chlorothiophen-2-yl)-(2,5-dimethylphenyl)methanol
CID 80530277

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-chlorophenyl)-(3-chlorothiophen-2-yl)methanol?
The IUPAC name of (5-bromo-2-chlorophenyl)-(3-chlorothiophen-2-yl)methanol (CID 80530430) is (5-bromo-2-chlorophenyl)-(3-chlorothiophen-2-yl)methanol.
What is the SMILES notation for (5-bromo-2-chlorophenyl)-(3-chlorothiophen-2-yl)methanol?
The canonical SMILES for (5-bromo-2-chlorophenyl)-(3-chlorothiophen-2-yl)methanol is OC(c1cc(Br)ccc1Cl)c1sccc1Cl.
What is the InChIKey of (5-bromo-2-chlorophenyl)-(3-chlorothiophen-2-yl)methanol?
The InChIKey is VDDNCEAGBSBBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrCl2OS/c12-6-1-2-8(13)7(5-6)10(15)11-9(14)3-4-16-11/h1-5,10,15H.
What are the key properties of (5-bromo-2-chlorophenyl)-(3-chlorothiophen-2-yl)methanol?
(5-bromo-2-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 (5-bromo-2-chlorophenyl)-(3-chlorothiophen-2-yl)methanol is sourced from PubChem (CID 80530430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).