(5-bromothiophen-2-yl)-(2,3-difluoro-4-methylphenyl)methanol

C12H9BrF2OS — CID 107512137

IUPAC(5-bromothiophen-2-yl)-(2,3-difluoro-4-methylphenyl)methanol
SMILESCc1ccc(C(O)c2ccc(Br)s2)c(F)c1F
InChIInChI=1S/C12H9BrF2OS/c1-6-2-3-7(11(15)10(6)14)12(16)8-4-5-9(13)17-8/h2-5,12,16H,1H3
InChIKeyUMHLOGHTCJNYBM-UHFFFAOYSA-N
MW319.17 g/mol
LogP4.18
Rot. Bonds2

About (5-bromothiophen-2-yl)-(2,3-difluoro-4-methylphenyl)methanol

(5-bromothiophen-2-yl)-(2,3-difluoro-4-methylphenyl)methanol (PubChem CID 107512137) has the molecular formula C12H9BrF2OS and a molecular weight of 319.17 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-(2,3-difluoro-4-methylphenyl)methanol.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-(2,3-difluoro-4-methylphenyl)methanol
PubChem CID107512137
Molecular FormulaC12H9BrF2OS
Molecular Weight319.17 g/mol
Exact Mass317.95
IUPAC Name(5-bromothiophen-2-yl)-(2,3-difluoro-4-methylphenyl)methanol
SMILESCc1ccc(C(O)c2ccc(Br)s2)c(F)c1F
InChIInChI=1S/C12H9BrF2OS/c1-6-2-3-7(11(15)10(6)14)12(16)8-4-5-9(13)17-8/h2-5,12,16H,1H3
InChIKeyUMHLOGHTCJNYBM-UHFFFAOYSA-N
XLogP4.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.17
LogP ≤ 54.18
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
1-(5-bromothiophen-2-yl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine
CID 107513386
(5-bromothiophen-2-yl)-(2-chloro-4,5-dimethylphenyl)methanol
CID 115484547
(5-bromothiophen-2-yl)-(4-methylthiophen-3-yl)methanol
CID 79808941
(5-bromothiophen-2-yl)-(2-chloro-4-fluoro-5-methylphenyl)methanol
CID 81045617
(5-bromothiophen-2-yl)-(2-methylthiophen-3-yl)methanol
CID 102829132
(2-bromo-5-fluorophenyl)-(5-bromothiophen-2-yl)methanol
CID 61081150
(5-bromothiophen-2-yl)-(3-fluoro-5-methylphenyl)methanol
CID 79691471
2-bromo-5-[chloro-(2,3,4-trifluorophenyl)methyl]thiophene
CID 79757506
(5-bromothiophen-2-yl)-[4-bromo-2-(trifluoromethyl)phenyl]methanol
CID 107333317
(5-bromothiophen-2-yl)-(3-methylfuran-2-yl)methanol
CID 61081936
(3-bromo-2,6-difluorophenyl)-(5-bromothiophen-2-yl)methanol
CID 106941245

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-(2,3-difluoro-4-methylphenyl)methanol?
The IUPAC name of (5-bromothiophen-2-yl)-(2,3-difluoro-4-methylphenyl)methanol (CID 107512137) is (5-bromothiophen-2-yl)-(2,3-difluoro-4-methylphenyl)methanol.
What is the SMILES notation for (5-bromothiophen-2-yl)-(2,3-difluoro-4-methylphenyl)methanol?
The canonical SMILES for (5-bromothiophen-2-yl)-(2,3-difluoro-4-methylphenyl)methanol is Cc1ccc(C(O)c2ccc(Br)s2)c(F)c1F.
What is the InChIKey of (5-bromothiophen-2-yl)-(2,3-difluoro-4-methylphenyl)methanol?
The InChIKey is UMHLOGHTCJNYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrF2OS/c1-6-2-3-7(11(15)10(6)14)12(16)8-4-5-9(13)17-8/h2-5,12,16H,1H3.
What are the key properties of (5-bromothiophen-2-yl)-(2,3-difluoro-4-methylphenyl)methanol?
(5-bromothiophen-2-yl)-(2,3-difluoro-4-methylphenyl)methanol has a molecular weight of 319.17 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-(2,3-difluoro-4-methylphenyl)methanol is sourced from PubChem (CID 107512137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).