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

C11H7BrCl2OS — CID 102830128

IUPAC(4-bromo-5-chlorothiophen-2-yl)-(2-chlorophenyl)methanol
SMILESOC(c1cc(Br)c(Cl)s1)c1ccccc1Cl
InChIInChI=1S/C11H7BrCl2OS/c12-7-5-9(16-11(7)14)10(15)6-3-1-2-4-8(6)13/h1-5,10,15H
InChIKeyZDTYEHHRSFETNZ-UHFFFAOYSA-N
MW338.05 g/mol
LogP4.90
Rot. Bonds2

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

(4-bromo-5-chlorothiophen-2-yl)-(2-chlorophenyl)methanol (PubChem CID 102830128) has the molecular formula C11H7BrCl2OS and a molecular weight of 338.05 g/mol. Its IUPAC name is (4-bromo-5-chlorothiophen-2-yl)-(2-chlorophenyl)methanol.

Molecular Properties

Compound Name(4-bromo-5-chlorothiophen-2-yl)-(2-chlorophenyl)methanol
PubChem CID102830128
Molecular FormulaC11H7BrCl2OS
Molecular Weight338.05 g/mol
Exact Mass335.88
IUPAC Name(4-bromo-5-chlorothiophen-2-yl)-(2-chlorophenyl)methanol
SMILESOC(c1cc(Br)c(Cl)s1)c1ccccc1Cl
InChIInChI=1S/C11H7BrCl2OS/c12-7-5-9(16-11(7)14)10(15)6-3-1-2-4-8(6)13/h1-5,10,15H
InChIKeyZDTYEHHRSFETNZ-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

(4-bromo-5-chlorothiophen-2-yl)-(3-chloro-2-methylphenyl)methanol
CID 107098965
1-(4-bromo-5-chlorothiophen-2-yl)-1-(2-chlorophenyl)-N-methylmethanamine
CID 102828263
(4-bromo-5-chlorothiophen-2-yl)-(4-phenylphenyl)methanol
CID 102829826
(4-bromo-3-chlorophenyl)-(4-bromo-5-chlorothiophen-2-yl)methanol
CID 102835178
1-(4-bromo-5-chlorothiophen-2-yl)-2-(2-chlorophenyl)ethanol
CID 102829814
(4-bromo-5-chlorothiophen-2-yl)-(4-methylthiophen-3-yl)methanol
CID 102834978
3-bromo-5-[bromo-(2,6-dichlorophenyl)methyl]-2-chlorothiophene
CID 102836792
3-bromo-2-chloro-5-[chloro-(2-iodophenyl)methyl]thiophene
CID 102836626
(4-bromo-5-chlorothiophen-2-yl)-(2-methoxy-3,4-dimethylphenyl)methanol
CID 103432747
(4-bromo-5-chlorothiophen-2-yl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol
CID 106971715
(5-bromo-2-chlorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanol
CID 102764402
1-(4-bromo-5-chlorothiophen-2-yl)-3-phenylpropan-1-ol
CID 102829973

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-chlorothiophen-2-yl)-(2-chlorophenyl)methanol?
The IUPAC name of (4-bromo-5-chlorothiophen-2-yl)-(2-chlorophenyl)methanol (CID 102830128) is (4-bromo-5-chlorothiophen-2-yl)-(2-chlorophenyl)methanol.
What is the SMILES notation for (4-bromo-5-chlorothiophen-2-yl)-(2-chlorophenyl)methanol?
The canonical SMILES for (4-bromo-5-chlorothiophen-2-yl)-(2-chlorophenyl)methanol is OC(c1cc(Br)c(Cl)s1)c1ccccc1Cl.
What is the InChIKey of (4-bromo-5-chlorothiophen-2-yl)-(2-chlorophenyl)methanol?
The InChIKey is ZDTYEHHRSFETNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrCl2OS/c12-7-5-9(16-11(7)14)10(15)6-3-1-2-4-8(6)13/h1-5,10,15H.
What are the key properties of (4-bromo-5-chlorothiophen-2-yl)-(2-chlorophenyl)methanol?
(4-bromo-5-chlorothiophen-2-yl)-(2-chlorophenyl)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 (4-bromo-5-chlorothiophen-2-yl)-(2-chlorophenyl)methanol is sourced from PubChem (CID 102830128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).