(4-bromo-5-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol

C13H11BrF2OS — CID 102834844

IUPAC(4-bromo-5-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol
SMILESCc1cc(C(O)c2cc(Br)c(C)s2)c(F)cc1F
InChIInChI=1S/C13H11BrF2OS/c1-6-3-8(11(16)5-10(6)15)13(17)12-4-9(14)7(2)18-12/h3-5,13,17H,1-2H3
InChIKeyMIXNZILFJOIXKR-UHFFFAOYSA-N
MW333.20 g/mol
LogP4.49
Rot. Bonds2

About (4-bromo-5-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol

(4-bromo-5-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol (PubChem CID 102834844) has the molecular formula C13H11BrF2OS and a molecular weight of 333.20 g/mol. Its IUPAC name is (4-bromo-5-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol.

Molecular Properties

Compound Name(4-bromo-5-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol
PubChem CID102834844
Molecular FormulaC13H11BrF2OS
Molecular Weight333.20 g/mol
Exact Mass331.97
IUPAC Name(4-bromo-5-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol
SMILESCc1cc(C(O)c2cc(Br)c(C)s2)c(F)cc1F
InChIInChI=1S/C13H11BrF2OS/c1-6-3-8(11(16)5-10(6)15)13(17)12-4-9(14)7(2)18-12/h3-5,13,17H,1-2H3
InChIKeyMIXNZILFJOIXKR-UHFFFAOYSA-N
XLogP4.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.20
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-5-methylthiophen-2-yl)-(2,3-difluoro-4-methylphenyl)methanol
CID 107512420
(5-chloro-4-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol
CID 102764552
(3-bromo-5-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol
CID 113396535
(5-chlorothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol
CID 79731095
(3-bromo-2,6-difluorophenyl)-(4-bromo-5-methylthiophen-2-yl)methanol
CID 106941526
(3-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol
CID 79730854
(2,4-difluoro-5-methylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol
CID 81105622
(2,4-difluoro-5-methylphenyl)-(5-ethylthiophen-2-yl)methanol
CID 79731435
(2-bromo-4-chlorophenyl)-(2,4-difluoro-5-methylphenyl)methanol
CID 107991288
(3-bromo-2-fluorophenyl)-(2,4-difluoro-5-methylphenyl)methanol
CID 106648345
(4,5-dibromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 80536104
(5-bromo-4-methylthiophen-2-yl)-(2-fluoro-4,5-dimethoxyphenyl)methanol
CID 79996828

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol?
The IUPAC name of (4-bromo-5-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol (CID 102834844) is (4-bromo-5-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol.
What is the SMILES notation for (4-bromo-5-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol?
The canonical SMILES for (4-bromo-5-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol is Cc1cc(C(O)c2cc(Br)c(C)s2)c(F)cc1F.
What is the InChIKey of (4-bromo-5-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol?
The InChIKey is MIXNZILFJOIXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrF2OS/c1-6-3-8(11(16)5-10(6)15)13(17)12-4-9(14)7(2)18-12/h3-5,13,17H,1-2H3.
What are the key properties of (4-bromo-5-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol?
(4-bromo-5-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol has a molecular weight of 333.20 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-5-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol is sourced from PubChem (CID 102834844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).