(3-bromo-4-fluorophenyl)-(4-bromothiophen-3-yl)methanol

C11H7Br2FOS — CID 79595160

IUPAC(3-bromo-4-fluorophenyl)-(4-bromothiophen-3-yl)methanol
SMILESOC(c1ccc(F)c(Br)c1)c1cscc1Br
InChIInChI=1S/C11H7Br2FOS/c12-8-3-6(1-2-10(8)14)11(15)7-4-16-5-9(7)13/h1-5,11,15H
InChIKeyUEKSCHJMNOMLTM-UHFFFAOYSA-N
MW366.05 g/mol
LogP4.49
Rot. Bonds2

About (3-bromo-4-fluorophenyl)-(4-bromothiophen-3-yl)methanol

(3-bromo-4-fluorophenyl)-(4-bromothiophen-3-yl)methanol (PubChem CID 79595160) has the molecular formula C11H7Br2FOS and a molecular weight of 366.05 g/mol. Its IUPAC name is (3-bromo-4-fluorophenyl)-(4-bromothiophen-3-yl)methanol.

Molecular Properties

Compound Name(3-bromo-4-fluorophenyl)-(4-bromothiophen-3-yl)methanol
PubChem CID79595160
Molecular FormulaC11H7Br2FOS
Molecular Weight366.05 g/mol
Exact Mass363.86
IUPAC Name(3-bromo-4-fluorophenyl)-(4-bromothiophen-3-yl)methanol
SMILESOC(c1ccc(F)c(Br)c1)c1cscc1Br
InChIInChI=1S/C11H7Br2FOS/c12-8-3-6(1-2-10(8)14)11(15)7-4-16-5-9(7)13/h1-5,11,15H
InChIKeyUEKSCHJMNOMLTM-UHFFFAOYSA-N
XLogP4.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.05
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-4-fluorophenyl)-(2-bromophenyl)methanol
CID 79746626
(4-bromothiophen-3-yl)-(3-fluorophenyl)methanol
CID 79595378
(3-bromo-4-fluorophenyl)-(2,5-difluoro-4-methylphenyl)methanol
CID 107955698
(3-bromo-4-fluorophenyl)-(4-bromophenyl)methanol
CID 79746542
N-[(3-bromo-4-fluorophenyl)-(4-bromothiophen-3-yl)methyl]ethanamine
CID 82810486
(4-bromo-2,5-dimethylphenyl)-(3-bromo-4-fluorophenyl)methanol
CID 107955646
(3-bromo-4-fluorophenyl)-(2-iodophenyl)methanol
CID 79746628
1,3-benzodioxol-5-yl-(4-bromothiophen-3-yl)methanol
CID 79595048
3-[bromo-(3-bromo-4-fluorophenyl)methyl]-4-methylthiophene
CID 79808350
(3-bromo-4-fluorophenyl)-(3,5-dichlorophenyl)methanol
CID 79747618
(3-bromo-4-fluorophenyl)-(3-chloro-4-fluorophenyl)methanol
CID 82879548
(4-bromothiophen-3-yl)-[4-(dimethylamino)phenyl]methanol
CID 79595156

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-fluorophenyl)-(4-bromothiophen-3-yl)methanol?
The IUPAC name of (3-bromo-4-fluorophenyl)-(4-bromothiophen-3-yl)methanol (CID 79595160) is (3-bromo-4-fluorophenyl)-(4-bromothiophen-3-yl)methanol.
What is the SMILES notation for (3-bromo-4-fluorophenyl)-(4-bromothiophen-3-yl)methanol?
The canonical SMILES for (3-bromo-4-fluorophenyl)-(4-bromothiophen-3-yl)methanol is OC(c1ccc(F)c(Br)c1)c1cscc1Br.
What is the InChIKey of (3-bromo-4-fluorophenyl)-(4-bromothiophen-3-yl)methanol?
The InChIKey is UEKSCHJMNOMLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Br2FOS/c12-8-3-6(1-2-10(8)14)11(15)7-4-16-5-9(7)13/h1-5,11,15H.
What are the key properties of (3-bromo-4-fluorophenyl)-(4-bromothiophen-3-yl)methanol?
(3-bromo-4-fluorophenyl)-(4-bromothiophen-3-yl)methanol has a molecular weight of 366.05 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-4-fluorophenyl)-(4-bromothiophen-3-yl)methanol is sourced from PubChem (CID 79595160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).