[2-(2-amino-5-bromo-4-fluorophenoxy)phenyl]methanol

C13H11BrFNO2 — CID 116736523

IUPAC[2-(2-amino-5-bromo-4-fluorophenoxy)phenyl]methanol
SMILESNc1cc(F)c(Br)cc1Oc1ccccc1CO
InChIInChI=1S/C13H11BrFNO2/c14-9-5-13(11(16)6-10(9)15)18-12-4-2-1-3-8(12)7-17/h1-6,17H,7,16H2
InChIKeyYBRBUOODZUODSH-UHFFFAOYSA-N
MW312.14 g/mol
LogP3.45
Rot. Bonds3

About [2-(2-amino-5-bromo-4-fluorophenoxy)phenyl]methanol

[2-(2-amino-5-bromo-4-fluorophenoxy)phenyl]methanol (PubChem CID 116736523) has the molecular formula C13H11BrFNO2 and a molecular weight of 312.14 g/mol. Its IUPAC name is [2-(2-amino-5-bromo-4-fluorophenoxy)phenyl]methanol.

Molecular Properties

Compound Name[2-(2-amino-5-bromo-4-fluorophenoxy)phenyl]methanol
PubChem CID116736523
Molecular FormulaC13H11BrFNO2
Molecular Weight312.14 g/mol
Exact Mass311.00
IUPAC Name[2-(2-amino-5-bromo-4-fluorophenoxy)phenyl]methanol
SMILESNc1cc(F)c(Br)cc1Oc1ccccc1CO
InChIInChI=1S/C13H11BrFNO2/c14-9-5-13(11(16)6-10(9)15)18-12-4-2-1-3-8(12)7-17/h1-6,17H,7,16H2
InChIKeyYBRBUOODZUODSH-UHFFFAOYSA-N
XLogP3.45
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.14
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(3-bromo-4-fluorophenoxy)phenyl]methanol
CID 83235131
[2-(2-amino-3,5-difluorophenoxy)phenyl]methanol
CID 113325423
5-bromo-2-(2-bromophenoxy)-4-fluoroaniline
CID 66112531
[2-(2-bromo-4-chloro-5-fluorophenoxy)phenyl]methanol
CID 114042695
4-bromo-2-(2-bromo-4-fluorophenoxy)-5-fluoroaniline
CID 116736386
[2-(5-bromo-2,3-difluorophenoxy)phenyl]methanol
CID 107100181
5-bromo-2-(2,4-difluorophenoxy)-4-fluoroaniline
CID 66110764
4-chloro-2-(2-ethylphenoxy)-5-fluoroaniline
CID 114089148
[2-[4-(aminomethyl)-2,6-difluorophenoxy]phenyl]methanol
CID 63654481
[2-[2-(aminomethyl)-5-bromophenoxy]phenyl]methanol
CID 63654318
[2-(3-bromo-5-fluorophenoxy)phenyl]methanol
CID 81331819
[2-(2-bromo-4-fluorophenoxy)-5-fluorophenyl]methanol
CID 43313412

Frequently Asked Questions

What is the IUPAC name of [2-(2-amino-5-bromo-4-fluorophenoxy)phenyl]methanol?
The IUPAC name of [2-(2-amino-5-bromo-4-fluorophenoxy)phenyl]methanol (CID 116736523) is [2-(2-amino-5-bromo-4-fluorophenoxy)phenyl]methanol.
What is the SMILES notation for [2-(2-amino-5-bromo-4-fluorophenoxy)phenyl]methanol?
The canonical SMILES for [2-(2-amino-5-bromo-4-fluorophenoxy)phenyl]methanol is Nc1cc(F)c(Br)cc1Oc1ccccc1CO.
What is the InChIKey of [2-(2-amino-5-bromo-4-fluorophenoxy)phenyl]methanol?
The InChIKey is YBRBUOODZUODSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFNO2/c14-9-5-13(11(16)6-10(9)15)18-12-4-2-1-3-8(12)7-17/h1-6,17H,7,16H2.
What are the key properties of [2-(2-amino-5-bromo-4-fluorophenoxy)phenyl]methanol?
[2-(2-amino-5-bromo-4-fluorophenoxy)phenyl]methanol has a molecular weight of 312.14 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-amino-5-bromo-4-fluorophenoxy)phenyl]methanol is sourced from PubChem (CID 116736523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).