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

C12H9BrClFOS — CID 79992530

IUPAC(5-bromo-4-methylthiophen-2-yl)-(4-chloro-2-fluorophenyl)methanol
SMILESCc1cc(C(O)c2ccc(Cl)cc2F)sc1Br
InChIInChI=1S/C12H9BrClFOS/c1-6-4-10(17-12(6)13)11(16)8-3-2-7(14)5-9(8)15/h2-5,11,16H,1H3
InChIKeyUEDYTGPHXHNTAL-UHFFFAOYSA-N
MW335.63 g/mol
LogP4.69
Rot. Bonds2

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

(5-bromo-4-methylthiophen-2-yl)-(4-chloro-2-fluorophenyl)methanol (PubChem CID 79992530) has the molecular formula C12H9BrClFOS and a molecular weight of 335.63 g/mol. Its IUPAC name is (5-bromo-4-methylthiophen-2-yl)-(4-chloro-2-fluorophenyl)methanol.

Molecular Properties

Compound Name(5-bromo-4-methylthiophen-2-yl)-(4-chloro-2-fluorophenyl)methanol
PubChem CID79992530
Molecular FormulaC12H9BrClFOS
Molecular Weight335.63 g/mol
Exact Mass333.92
IUPAC Name(5-bromo-4-methylthiophen-2-yl)-(4-chloro-2-fluorophenyl)methanol
SMILESCc1cc(C(O)c2ccc(Cl)cc2F)sc1Br
InChIInChI=1S/C12H9BrClFOS/c1-6-4-10(17-12(6)13)11(16)8-3-2-7(14)5-9(8)15/h2-5,11,16H,1H3
InChIKeyUEDYTGPHXHNTAL-UHFFFAOYSA-N
XLogP4.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.63
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-4-chlorothiophen-2-yl)-(4-chloro-2-fluorophenyl)methanol
CID 80532328
(5-bromo-4-methylthiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methanol
CID 79996742
(5-bromo-4-methylthiophen-2-yl)-(2-fluoro-4,5-dimethoxyphenyl)methanol
CID 79996828
(2-bromo-3-methylphenyl)-(4-chloro-2-fluorophenyl)methanol
CID 107985803
1-(5-bromo-4-methylthiophen-2-yl)-1-(4-chloro-2-methylphenyl)-N-methylmethanamine
CID 114027955
(5-bromo-4-methylthiophen-2-yl)-(5-chloro-2-methylphenyl)methanamine
CID 82884129
(4-chloro-2-methoxyphenyl)-(4,5-dibromothiophen-2-yl)methanol
CID 80535475
(4-bromophenyl)-(4-chloro-2-fluorophenyl)methanol
CID 61101398
(5-chloro-4-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol
CID 102764552
(5-bromo-4-methylthiophen-2-yl)-quinolin-5-ylmethanol
CID 115826296
(2-bromo-4-chlorophenyl)-(2,4-difluoro-5-methylphenyl)methanol
CID 107991288
(4-bromo-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanol
CID 61082809

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-methylthiophen-2-yl)-(4-chloro-2-fluorophenyl)methanol?
The IUPAC name of (5-bromo-4-methylthiophen-2-yl)-(4-chloro-2-fluorophenyl)methanol (CID 79992530) is (5-bromo-4-methylthiophen-2-yl)-(4-chloro-2-fluorophenyl)methanol.
What is the SMILES notation for (5-bromo-4-methylthiophen-2-yl)-(4-chloro-2-fluorophenyl)methanol?
The canonical SMILES for (5-bromo-4-methylthiophen-2-yl)-(4-chloro-2-fluorophenyl)methanol is Cc1cc(C(O)c2ccc(Cl)cc2F)sc1Br.
What is the InChIKey of (5-bromo-4-methylthiophen-2-yl)-(4-chloro-2-fluorophenyl)methanol?
The InChIKey is UEDYTGPHXHNTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClFOS/c1-6-4-10(17-12(6)13)11(16)8-3-2-7(14)5-9(8)15/h2-5,11,16H,1H3.
What are the key properties of (5-bromo-4-methylthiophen-2-yl)-(4-chloro-2-fluorophenyl)methanol?
(5-bromo-4-methylthiophen-2-yl)-(4-chloro-2-fluorophenyl)methanol has a molecular weight of 335.63 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-methylthiophen-2-yl)-(4-chloro-2-fluorophenyl)methanol is sourced from PubChem (CID 79992530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).