(5-bromo-2-chlorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanol

C12H9BrCl2OS — CID 102764402

IUPAC(5-bromo-2-chlorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanol
SMILESCc1cc(C(O)c2cc(Br)ccc2Cl)sc1Cl
InChIInChI=1S/C12H9BrCl2OS/c1-6-4-10(17-12(6)15)11(16)8-5-7(13)2-3-9(8)14/h2-5,11,16H,1H3
InChIKeyKZAOZHAGPJPZOC-UHFFFAOYSA-N
MW352.08 g/mol
LogP5.21
Rot. Bonds2

About (5-bromo-2-chlorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanol

(5-bromo-2-chlorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanol (PubChem CID 102764402) has the molecular formula C12H9BrCl2OS and a molecular weight of 352.08 g/mol. Its IUPAC name is (5-bromo-2-chlorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanol.

Molecular Properties

Compound Name(5-bromo-2-chlorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanol
PubChem CID102764402
Molecular FormulaC12H9BrCl2OS
Molecular Weight352.08 g/mol
Exact Mass349.89
IUPAC Name(5-bromo-2-chlorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanol
SMILESCc1cc(C(O)c2cc(Br)ccc2Cl)sc1Cl
InChIInChI=1S/C12H9BrCl2OS/c1-6-4-10(17-12(6)15)11(16)8-5-7(13)2-3-9(8)14/h2-5,11,16H,1H3
InChIKeyKZAOZHAGPJPZOC-UHFFFAOYSA-N
XLogP5.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.08
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-2-chlorophenyl)-(2,4,5-trimethylphenyl)methanol
CID 115807083
(5-bromo-2-chlorophenyl)-(2-methylphenyl)methanol
CID 114979219
5-[bromo-(4-bromo-2-methylphenyl)methyl]-2-chloro-3-methylthiophene
CID 102764936
(5-chloro-4-methylthiophen-2-yl)-(4-methylthiophen-3-yl)methanol
CID 102764416
(5-bromo-2-chlorophenyl)-(2,5-dibromothiophen-3-yl)methanol
CID 63426559
(5-bromo-2-chlorophenyl)-(5-bromo-4-methylthiophen-2-yl)methanamine
CID 79992281
(5-chloro-4-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol
CID 102764552
(5-bromo-2-chlorophenyl)-(5-pyridin-2-ylthiophen-2-yl)methanol
CID 66607325
(5-bromo-2-chlorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
CID 61081131
(5-chloro-4-methylthiophen-2-yl)-(4-fluoro-3-methylphenyl)methanol
CID 102764444
(5-bromo-2-chlorophenyl)-(4-methoxy-3-methylphenyl)methanol
CID 61082254
(1S)-1-(5-chloro-4-methylthiophen-2-yl)ethanol
CID 102765292

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-chlorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanol?
The IUPAC name of (5-bromo-2-chlorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanol (CID 102764402) is (5-bromo-2-chlorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanol.
What is the SMILES notation for (5-bromo-2-chlorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanol?
The canonical SMILES for (5-bromo-2-chlorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanol is Cc1cc(C(O)c2cc(Br)ccc2Cl)sc1Cl.
What is the InChIKey of (5-bromo-2-chlorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanol?
The InChIKey is KZAOZHAGPJPZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrCl2OS/c1-6-4-10(17-12(6)15)11(16)8-5-7(13)2-3-9(8)14/h2-5,11,16H,1H3.
What are the key properties of (5-bromo-2-chlorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanol?
(5-bromo-2-chlorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanol has a molecular weight of 352.08 g/mol, XLogP of 5.21, 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)-(5-chloro-4-methylthiophen-2-yl)methanol is sourced from PubChem (CID 102764402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).