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

C13H11BrF2OS — CID 113396535

IUPAC(3-bromo-5-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol
SMILESCc1cc(Br)c(C(O)c2cc(C)c(F)cc2F)s1
InChIInChI=1S/C13H11BrF2OS/c1-6-3-8(11(16)5-10(6)15)12(17)13-9(14)4-7(2)18-13/h3-5,12,17H,1-2H3
InChIKeyVRIKQNVEGHDONK-UHFFFAOYSA-N
MW333.20 g/mol
LogP4.49
Rot. Bonds2

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

(3-bromo-5-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol (PubChem CID 113396535) has the molecular formula C13H11BrF2OS and a molecular weight of 333.20 g/mol. Its IUPAC name is (3-bromo-5-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol.

Molecular Properties

Compound Name(3-bromo-5-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol
PubChem CID113396535
Molecular FormulaC13H11BrF2OS
Molecular Weight333.20 g/mol
Exact Mass331.97
IUPAC Name(3-bromo-5-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol
SMILESCc1cc(Br)c(C(O)c2cc(C)c(F)cc2F)s1
InChIInChI=1S/C13H11BrF2OS/c1-6-3-8(11(16)5-10(6)15)12(17)13-9(14)4-7(2)18-13/h3-5,12,17H,1-2H3
InChIKeyVRIKQNVEGHDONK-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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Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol?
The IUPAC name of (3-bromo-5-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol (CID 113396535) is (3-bromo-5-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol.
What is the SMILES notation for (3-bromo-5-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol?
The canonical SMILES for (3-bromo-5-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol is Cc1cc(Br)c(C(O)c2cc(C)c(F)cc2F)s1.
What is the InChIKey of (3-bromo-5-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol?
The InChIKey is VRIKQNVEGHDONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrF2OS/c1-6-3-8(11(16)5-10(6)15)12(17)13-9(14)4-7(2)18-13/h3-5,12,17H,1-2H3.
What are the key properties of (3-bromo-5-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol?
(3-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 (3-bromo-5-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol is sourced from PubChem (CID 113396535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).