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

C12H9BrF2OS — CID 79730854

IUPAC(3-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol
SMILESCc1cc(C(O)c2sccc2Br)c(F)cc1F
InChIInChI=1S/C12H9BrF2OS/c1-6-4-7(10(15)5-9(6)14)11(16)12-8(13)2-3-17-12/h2-5,11,16H,1H3
InChIKeyKDLNUWNNWRACMZ-UHFFFAOYSA-N
MW319.17 g/mol
LogP4.18
Rot. Bonds2

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

(3-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol (PubChem CID 79730854) has the molecular formula C12H9BrF2OS and a molecular weight of 319.17 g/mol. Its IUPAC name is (3-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol.

Molecular Properties

Compound Name(3-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol
PubChem CID79730854
Molecular FormulaC12H9BrF2OS
Molecular Weight319.17 g/mol
Exact Mass317.95
IUPAC Name(3-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol
SMILESCc1cc(C(O)c2sccc2Br)c(F)cc1F
InChIInChI=1S/C12H9BrF2OS/c1-6-4-7(10(15)5-9(6)14)11(16)12-8(13)2-3-17-12/h2-5,11,16H,1H3
InChIKeyKDLNUWNNWRACMZ-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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Frequently Asked Questions

What is the IUPAC name of (3-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol?
The IUPAC name of (3-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol (CID 79730854) is (3-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol.
What is the SMILES notation for (3-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol?
The canonical SMILES for (3-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol is Cc1cc(C(O)c2sccc2Br)c(F)cc1F.
What is the InChIKey of (3-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol?
The InChIKey is KDLNUWNNWRACMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrF2OS/c1-6-4-7(10(15)5-9(6)14)11(16)12-8(13)2-3-17-12/h2-5,11,16H,1H3.
What are the key properties of (3-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol?
(3-bromothiophen-2-yl)-(2,4-difluoro-5-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 (3-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol is sourced from PubChem (CID 79730854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).