(5-bromo-4-methylthiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methanol

C13H12BrFO2S — CID 79996742

IUPAC(5-bromo-4-methylthiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2cc(C)c(Br)s2)c(F)c1
InChIInChI=1S/C13H12BrFO2S/c1-7-5-11(18-13(7)14)12(16)9-4-3-8(17-2)6-10(9)15/h3-6,12,16H,1-2H3
InChIKeyDMCDZDZQKOCGLL-UHFFFAOYSA-N
MW331.21 g/mol
LogP4.05
Rot. Bonds3

About (5-bromo-4-methylthiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methanol

(5-bromo-4-methylthiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methanol (PubChem CID 79996742) has the molecular formula C13H12BrFO2S and a molecular weight of 331.21 g/mol. Its IUPAC name is (5-bromo-4-methylthiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methanol.

Molecular Properties

Compound Name(5-bromo-4-methylthiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methanol
PubChem CID79996742
Molecular FormulaC13H12BrFO2S
Molecular Weight331.21 g/mol
Exact Mass329.97
IUPAC Name(5-bromo-4-methylthiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2cc(C)c(Br)s2)c(F)c1
InChIInChI=1S/C13H12BrFO2S/c1-7-5-11(18-13(7)14)12(16)9-4-3-8(17-2)6-10(9)15/h3-6,12,16H,1-2H3
InChIKeyDMCDZDZQKOCGLL-UHFFFAOYSA-N
XLogP4.05
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-4-methylthiophen-2-yl)-(4-chloro-2-fluorophenyl)methanol
CID 79992530
(5-bromo-4-methylthiophen-2-yl)-(2-fluoro-4,5-dimethoxyphenyl)methanol
CID 79996828
bis(2-fluoro-4-methoxyphenyl)methanol
CID 102884350
(2-fluoro-4-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanol
CID 102884337
(2,4-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanol
CID 61080731
5-[bromo-(2-fluoro-4-methoxyphenyl)methyl]-2,3-dimethylthiophene
CID 65238352
(5-bromo-4-methylthiophen-2-yl)-(4-methoxynaphthalen-1-yl)methanol
CID 79998988
(5-bromo-4-methylthiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanamine
CID 79981146
(2-fluoro-4-methoxyphenyl)-(3-methyl-4-pyridinyl)methanol
CID 103395465
(4-chloro-2,5-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanol
CID 102884370
(3,5-difluorophenyl)-(2-fluoro-4-methoxyphenyl)methanol
CID 61083265
(2-fluoro-4-methoxyphenyl)-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106680266

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-methylthiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methanol?
The IUPAC name of (5-bromo-4-methylthiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methanol (CID 79996742) is (5-bromo-4-methylthiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methanol.
What is the SMILES notation for (5-bromo-4-methylthiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methanol?
The canonical SMILES for (5-bromo-4-methylthiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methanol is COc1ccc(C(O)c2cc(C)c(Br)s2)c(F)c1.
What is the InChIKey of (5-bromo-4-methylthiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methanol?
The InChIKey is DMCDZDZQKOCGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFO2S/c1-7-5-11(18-13(7)14)12(16)9-4-3-8(17-2)6-10(9)15/h3-6,12,16H,1-2H3.
What are the key properties of (5-bromo-4-methylthiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methanol?
(5-bromo-4-methylthiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methanol has a molecular weight of 331.21 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-methylthiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methanol is sourced from PubChem (CID 79996742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).