(3-bromo-4-fluorophenyl)-(2-iodophenyl)methanol

C13H9BrFIO — CID 79746628

IUPAC(3-bromo-4-fluorophenyl)-(2-iodophenyl)methanol
SMILESOC(c1ccc(F)c(Br)c1)c1ccccc1I
InChIInChI=1S/C13H9BrFIO/c14-10-7-8(5-6-11(10)15)13(17)9-3-1-2-4-12(9)16/h1-7,13,17H
InChIKeyCJAZJQFQEKZCLK-UHFFFAOYSA-N
MW407.02 g/mol
LogP4.27
Rot. Bonds2

About (3-bromo-4-fluorophenyl)-(2-iodophenyl)methanol

(3-bromo-4-fluorophenyl)-(2-iodophenyl)methanol (PubChem CID 79746628) has the molecular formula C13H9BrFIO and a molecular weight of 407.02 g/mol. Its IUPAC name is (3-bromo-4-fluorophenyl)-(2-iodophenyl)methanol.

Molecular Properties

Compound Name(3-bromo-4-fluorophenyl)-(2-iodophenyl)methanol
PubChem CID79746628
Molecular FormulaC13H9BrFIO
Molecular Weight407.02 g/mol
Exact Mass405.89
IUPAC Name(3-bromo-4-fluorophenyl)-(2-iodophenyl)methanol
SMILESOC(c1ccc(F)c(Br)c1)c1ccccc1I
InChIInChI=1S/C13H9BrFIO/c14-10-7-8(5-6-11(10)15)13(17)9-3-1-2-4-12(9)16/h1-7,13,17H
InChIKeyCJAZJQFQEKZCLK-UHFFFAOYSA-N
XLogP4.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.02
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(3-bromo-4-fluorophenyl)-(2-bromophenyl)methanol
CID 79746626
(3-bromo-4-fluorophenyl)-(2-bromo-3-methylphenyl)methanol
CID 114023972
(3-bromo-4-ethoxyphenyl)-(2-iodophenyl)methanol
CID 104661098
(3-bromo-4-fluorophenyl)-(4-bromothiophen-3-yl)methanol
CID 79595160
(3-bromo-4-fluorophenyl)-(4-bromophenyl)methanol
CID 79746542
(3-bromo-4-fluorophenyl)-(2-propoxyphenyl)methanol
CID 104658638
(3,4-dimethylphenyl)-(2-iodophenyl)methanol
CID 61101353
(3-bromo-4-fluorophenyl)-(2,5-difluoro-4-methylphenyl)methanol
CID 107955698
(4-bromo-2,5-dimethylphenyl)-(3-bromo-4-fluorophenyl)methanol
CID 107955646
(3-bromo-4-fluorophenyl)-quinolin-8-ylmethanol
CID 81216271
(3-bromo-4-fluorophenyl)-(3-chloro-4-fluorophenyl)methanol
CID 82879548
(3-bromo-4-fluorophenyl)-(3,5-dichlorophenyl)methanol
CID 79747618

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-fluorophenyl)-(2-iodophenyl)methanol?
The IUPAC name of (3-bromo-4-fluorophenyl)-(2-iodophenyl)methanol (CID 79746628) is (3-bromo-4-fluorophenyl)-(2-iodophenyl)methanol.
What is the SMILES notation for (3-bromo-4-fluorophenyl)-(2-iodophenyl)methanol?
The canonical SMILES for (3-bromo-4-fluorophenyl)-(2-iodophenyl)methanol is OC(c1ccc(F)c(Br)c1)c1ccccc1I.
What is the InChIKey of (3-bromo-4-fluorophenyl)-(2-iodophenyl)methanol?
The InChIKey is CJAZJQFQEKZCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFIO/c14-10-7-8(5-6-11(10)15)13(17)9-3-1-2-4-12(9)16/h1-7,13,17H.
What are the key properties of (3-bromo-4-fluorophenyl)-(2-iodophenyl)methanol?
(3-bromo-4-fluorophenyl)-(2-iodophenyl)methanol has a molecular weight of 407.02 g/mol, XLogP of 4.27, 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)-(2-iodophenyl)methanol is sourced from PubChem (CID 79746628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).