(3-bromo-4-fluorophenyl)-(4-bromophenyl)methanol

C13H9Br2FO — CID 79746542

IUPAC(3-bromo-4-fluorophenyl)-(4-bromophenyl)methanol
SMILESOC(c1ccc(Br)cc1)c1ccc(F)c(Br)c1
InChIInChI=1S/C13H9Br2FO/c14-10-4-1-8(2-5-10)13(17)9-3-6-12(16)11(15)7-9/h1-7,13,17H
InChIKeyRKBDYXXTQWTVRG-UHFFFAOYSA-N
MW360.02 g/mol
LogP4.43
Rot. Bonds2

About (3-bromo-4-fluorophenyl)-(4-bromophenyl)methanol

(3-bromo-4-fluorophenyl)-(4-bromophenyl)methanol (PubChem CID 79746542) has the molecular formula C13H9Br2FO and a molecular weight of 360.02 g/mol. Its IUPAC name is (3-bromo-4-fluorophenyl)-(4-bromophenyl)methanol.

Molecular Properties

Compound Name(3-bromo-4-fluorophenyl)-(4-bromophenyl)methanol
PubChem CID79746542
Molecular FormulaC13H9Br2FO
Molecular Weight360.02 g/mol
Exact Mass357.90
IUPAC Name(3-bromo-4-fluorophenyl)-(4-bromophenyl)methanol
SMILESOC(c1ccc(Br)cc1)c1ccc(F)c(Br)c1
InChIInChI=1S/C13H9Br2FO/c14-10-4-1-8(2-5-10)13(17)9-3-6-12(16)11(15)7-9/h1-7,13,17H
InChIKeyRKBDYXXTQWTVRG-UHFFFAOYSA-N
XLogP4.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.02
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-4-fluorophenyl)-(3-chloro-4-fluorophenyl)methanol
CID 82879548
(3-bromo-4-fluorophenyl)-(3,5-dichlorophenyl)methanol
CID 79747618
(3-bromo-4-fluorophenyl)-(4-fluoro-3-methoxyphenyl)methanol
CID 81284804
(3-bromo-4-fluorophenyl)-(2-bromophenyl)methanol
CID 79746626
(3-bromo-4-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanol
CID 79697409
2-bromo-4-[chloro-(3,4-difluorophenyl)methyl]-1-fluorobenzene
CID 79747375
(3-bromo-4-fluorophenyl)-(4-bromothiophen-3-yl)methanol
CID 79595160
(4-bromophenyl)-(4-chlorophenyl)methanol;ethane
CID 143569170
1-(3-bromo-4-fluorophenyl)ethane-1,2-diol
CID 70906663
2-bromo-4-[(3-bromophenyl)-chloromethyl]-1-fluorobenzene
CID 79747210
(4-bromophenyl)-(4-chloro-2-fluorophenyl)methanol
CID 61101398
(4-bromo-2,5-dimethylphenyl)-(3-bromo-4-fluorophenyl)methanol
CID 107955646

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-fluorophenyl)-(4-bromophenyl)methanol?
The IUPAC name of (3-bromo-4-fluorophenyl)-(4-bromophenyl)methanol (CID 79746542) is (3-bromo-4-fluorophenyl)-(4-bromophenyl)methanol.
What is the SMILES notation for (3-bromo-4-fluorophenyl)-(4-bromophenyl)methanol?
The canonical SMILES for (3-bromo-4-fluorophenyl)-(4-bromophenyl)methanol is OC(c1ccc(Br)cc1)c1ccc(F)c(Br)c1.
What is the InChIKey of (3-bromo-4-fluorophenyl)-(4-bromophenyl)methanol?
The InChIKey is RKBDYXXTQWTVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2FO/c14-10-4-1-8(2-5-10)13(17)9-3-6-12(16)11(15)7-9/h1-7,13,17H.
What are the key properties of (3-bromo-4-fluorophenyl)-(4-bromophenyl)methanol?
(3-bromo-4-fluorophenyl)-(4-bromophenyl)methanol has a molecular weight of 360.02 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-fluorophenyl)-(4-bromophenyl)methanol is sourced from PubChem (CID 79746542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).