(4-bromophenyl)-(4-fluoro-2-iodophenyl)methanol

C13H9BrFIO — CID 114029441

IUPAC(4-bromophenyl)-(4-fluoro-2-iodophenyl)methanol
SMILESOC(c1ccc(Br)cc1)c1ccc(F)cc1I
InChIInChI=1S/C13H9BrFIO/c14-9-3-1-8(2-4-9)13(17)11-6-5-10(15)7-12(11)16/h1-7,13,17H
InChIKeyMVKKIBJGMBWIQS-UHFFFAOYSA-N
MW407.02 g/mol
LogP4.27
Rot. Bonds2

About (4-bromophenyl)-(4-fluoro-2-iodophenyl)methanol

(4-bromophenyl)-(4-fluoro-2-iodophenyl)methanol (PubChem CID 114029441) has the molecular formula C13H9BrFIO and a molecular weight of 407.02 g/mol. Its IUPAC name is (4-bromophenyl)-(4-fluoro-2-iodophenyl)methanol.

Molecular Properties

Compound Name(4-bromophenyl)-(4-fluoro-2-iodophenyl)methanol
PubChem CID114029441
Molecular FormulaC13H9BrFIO
Molecular Weight407.02 g/mol
Exact Mass405.89
IUPAC Name(4-bromophenyl)-(4-fluoro-2-iodophenyl)methanol
SMILESOC(c1ccc(Br)cc1)c1ccc(F)cc1I
InChIInChI=1S/C13H9BrFIO/c14-9-3-1-8(2-4-9)13(17)11-6-5-10(15)7-12(11)16/h1-7,13,17H
InChIKeyMVKKIBJGMBWIQS-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

(5-bromo-2-chlorophenyl)-(4-fluorophenyl)methanol
CID 61100202
(4-bromophenyl)-(4-chloro-2-fluorophenyl)methanol
CID 61101398
(4-fluoro-2-methylphenyl)-(4-iodophenyl)methanol
CID 115794222
(5-bromo-3-methyltriazol-4-yl)-(4-fluoro-2-iodophenyl)methanol
CID 114030491
(5-bromo-2-iodophenyl)-(4-ethylphenyl)methanol
CID 114033085
(4-bromophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol
CID 81104251
(4-fluoro-2-methylphenyl)-(4-methylphenyl)methanol
CID 62791480
(2-bromo-4-fluorophenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 61101513
(3-bromo-4-fluorophenyl)-(2-iodophenyl)methanol
CID 79746628
(4-bromophenyl)-(2-chlorophenyl)methanol
CID 11312546
(3-bromo-4-fluorophenyl)-(4-bromophenyl)methanol
CID 79746542
1-bromo-1-(4-fluoro-2-iodophenyl)propan-2-one
CID 130869021

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(4-fluoro-2-iodophenyl)methanol?
The IUPAC name of (4-bromophenyl)-(4-fluoro-2-iodophenyl)methanol (CID 114029441) is (4-bromophenyl)-(4-fluoro-2-iodophenyl)methanol.
What is the SMILES notation for (4-bromophenyl)-(4-fluoro-2-iodophenyl)methanol?
The canonical SMILES for (4-bromophenyl)-(4-fluoro-2-iodophenyl)methanol is OC(c1ccc(Br)cc1)c1ccc(F)cc1I.
What is the InChIKey of (4-bromophenyl)-(4-fluoro-2-iodophenyl)methanol?
The InChIKey is MVKKIBJGMBWIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFIO/c14-9-3-1-8(2-4-9)13(17)11-6-5-10(15)7-12(11)16/h1-7,13,17H.
What are the key properties of (4-bromophenyl)-(4-fluoro-2-iodophenyl)methanol?
(4-bromophenyl)-(4-fluoro-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 (4-bromophenyl)-(4-fluoro-2-iodophenyl)methanol is sourced from PubChem (CID 114029441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).