(5-bromo-4-methylthiophen-2-yl)-(2-fluoro-4,5-dimethoxyphenyl)methanol

C14H14BrFO3S — CID 79996828

IUPAC(5-bromo-4-methylthiophen-2-yl)-(2-fluoro-4,5-dimethoxyphenyl)methanol
SMILESCOc1cc(F)c(C(O)c2cc(C)c(Br)s2)cc1OC
InChIInChI=1S/C14H14BrFO3S/c1-7-4-12(20-14(7)15)13(17)8-5-10(18-2)11(19-3)6-9(8)16/h4-6,13,17H,1-3H3
InChIKeyXMGAQTWWHREHEZ-UHFFFAOYSA-N
MW361.23 g/mol
LogP4.06
Rot. Bonds4

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

(5-bromo-4-methylthiophen-2-yl)-(2-fluoro-4,5-dimethoxyphenyl)methanol (PubChem CID 79996828) has the molecular formula C14H14BrFO3S and a molecular weight of 361.23 g/mol. Its IUPAC name is (5-bromo-4-methylthiophen-2-yl)-(2-fluoro-4,5-dimethoxyphenyl)methanol.

Molecular Properties

Compound Name(5-bromo-4-methylthiophen-2-yl)-(2-fluoro-4,5-dimethoxyphenyl)methanol
PubChem CID79996828
Molecular FormulaC14H14BrFO3S
Molecular Weight361.23 g/mol
Exact Mass359.98
IUPAC Name(5-bromo-4-methylthiophen-2-yl)-(2-fluoro-4,5-dimethoxyphenyl)methanol
SMILESCOc1cc(F)c(C(O)c2cc(C)c(Br)s2)cc1OC
InChIInChI=1S/C14H14BrFO3S/c1-7-4-12(20-14(7)15)13(17)8-5-10(18-2)11(19-3)6-9(8)16/h4-6,13,17H,1-3H3
InChIKeyXMGAQTWWHREHEZ-UHFFFAOYSA-N
XLogP4.06
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-bromo-4-methylthiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methanol
CID 79996742
(5-bromo-4-methylthiophen-2-yl)-(4-chloro-2-fluorophenyl)methanol
CID 79992530
(5-bromo-4-methylthiophen-2-yl)-(4-methoxynaphthalen-1-yl)methanol
CID 79998988
(2-bromo-4,5-dimethoxyphenyl)-(5-bromo-4-methylthiophen-2-yl)methanamine
CID 79981793
(4-bromo-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanol
CID 62867464
(4-bromo-5-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol
CID 102834844
(2-bromo-5-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanol
CID 62867633
(5-bromo-4-methylthiophen-2-yl)-(2-propan-2-yloxyphenyl)methanol
CID 115823703
(5-bromo-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
CID 61082293
(3-chloro-4-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanol
CID 63194903
(5-bromo-4-methylthiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methanol
CID 79996997
(5-bromo-4-fluoro-2-methoxyphenyl)-thiophen-2-ylmethanol
CID 103396042

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-methylthiophen-2-yl)-(2-fluoro-4,5-dimethoxyphenyl)methanol?
The IUPAC name of (5-bromo-4-methylthiophen-2-yl)-(2-fluoro-4,5-dimethoxyphenyl)methanol (CID 79996828) is (5-bromo-4-methylthiophen-2-yl)-(2-fluoro-4,5-dimethoxyphenyl)methanol.
What is the SMILES notation for (5-bromo-4-methylthiophen-2-yl)-(2-fluoro-4,5-dimethoxyphenyl)methanol?
The canonical SMILES for (5-bromo-4-methylthiophen-2-yl)-(2-fluoro-4,5-dimethoxyphenyl)methanol is COc1cc(F)c(C(O)c2cc(C)c(Br)s2)cc1OC.
What is the InChIKey of (5-bromo-4-methylthiophen-2-yl)-(2-fluoro-4,5-dimethoxyphenyl)methanol?
The InChIKey is XMGAQTWWHREHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFO3S/c1-7-4-12(20-14(7)15)13(17)8-5-10(18-2)11(19-3)6-9(8)16/h4-6,13,17H,1-3H3.
What are the key properties of (5-bromo-4-methylthiophen-2-yl)-(2-fluoro-4,5-dimethoxyphenyl)methanol?
(5-bromo-4-methylthiophen-2-yl)-(2-fluoro-4,5-dimethoxyphenyl)methanol has a molecular weight of 361.23 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-methylthiophen-2-yl)-(2-fluoro-4,5-dimethoxyphenyl)methanol is sourced from PubChem (CID 79996828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).