2-[2-[(2-bromo-4-nitrophenyl)methoxy]phenyl]ethanol

C15H14BrNO4 — CID 107713238

IUPAC2-[2-[(2-bromo-4-nitrophenyl)methoxy]phenyl]ethanol
SMILESO=[N+]([O-])c1ccc(COc2ccccc2CCO)c(Br)c1
InChIInChI=1S/C15H14BrNO4/c16-14-9-13(17(19)20)6-5-12(14)10-21-15-4-2-1-3-11(15)7-8-18/h1-6,9,18H,7-8,10H2
InChIKeyKZONLOOWDTUEQZ-UHFFFAOYSA-N
MW352.18 g/mol
LogP3.47
Rot. Bonds6

About 2-[2-[(2-bromo-4-nitrophenyl)methoxy]phenyl]ethanol

2-[2-[(2-bromo-4-nitrophenyl)methoxy]phenyl]ethanol (PubChem CID 107713238) has the molecular formula C15H14BrNO4 and a molecular weight of 352.18 g/mol. Its IUPAC name is 2-[2-[(2-bromo-4-nitrophenyl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name2-[2-[(2-bromo-4-nitrophenyl)methoxy]phenyl]ethanol
PubChem CID107713238
Molecular FormulaC15H14BrNO4
Molecular Weight352.18 g/mol
Exact Mass351.01
IUPAC Name2-[2-[(2-bromo-4-nitrophenyl)methoxy]phenyl]ethanol
SMILESO=[N+]([O-])c1ccc(COc2ccccc2CCO)c(Br)c1
InChIInChI=1S/C15H14BrNO4/c16-14-9-13(17(19)20)6-5-12(14)10-21-15-4-2-1-3-11(15)7-8-18/h1-6,9,18H,7-8,10H2
InChIKeyKZONLOOWDTUEQZ-UHFFFAOYSA-N
XLogP3.47
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.18
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-bromo-1-[(2-chlorophenoxy)methyl]-4-nitrobenzene
CID 64764344
1-[(2-bromo-4-nitrophenyl)methoxy]-2,3-dimethylbenzene
CID 103432348
2-bromo-1-[[2-(bromomethyl)-4-fluorophenoxy]methyl]-4-nitrobenzene
CID 107699082
2-[2-[2-(4-nitrophenyl)ethoxy]phenyl]ethanol
CID 107713105
[2-[(2-bromo-4-nitrophenyl)methoxy]-3-fluorophenyl]methanol
CID 115956391
1-[(2-bromophenyl)methoxy]-2-chloro-4-nitrobenzene
CID 54129190
2-[(2-bromophenyl)methoxy]-1-chloro-4-nitrobenzene
CID 63990985
2-[(2-bromophenyl)methoxy]-4-nitrobenzoic acid
CID 82805071
2-[2-[(4-amino-3-nitrophenyl)methoxy]phenyl]ethanol
CID 107714075
[3-[(2-bromo-4-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanol
CID 79158522
1-bromo-2-[(2-chlorophenyl)methoxy]-4-nitrobenzene
CID 25235955
2-bromo-1-(bromomethyl)-4-nitrobenzene
CID 14644718

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-bromo-4-nitrophenyl)methoxy]phenyl]ethanol?
The IUPAC name of 2-[2-[(2-bromo-4-nitrophenyl)methoxy]phenyl]ethanol (CID 107713238) is 2-[2-[(2-bromo-4-nitrophenyl)methoxy]phenyl]ethanol.
What is the SMILES notation for 2-[2-[(2-bromo-4-nitrophenyl)methoxy]phenyl]ethanol?
The canonical SMILES for 2-[2-[(2-bromo-4-nitrophenyl)methoxy]phenyl]ethanol is O=[N+]([O-])c1ccc(COc2ccccc2CCO)c(Br)c1.
What is the InChIKey of 2-[2-[(2-bromo-4-nitrophenyl)methoxy]phenyl]ethanol?
The InChIKey is KZONLOOWDTUEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO4/c16-14-9-13(17(19)20)6-5-12(14)10-21-15-4-2-1-3-11(15)7-8-18/h1-6,9,18H,7-8,10H2.
What are the key properties of 2-[2-[(2-bromo-4-nitrophenyl)methoxy]phenyl]ethanol?
2-[2-[(2-bromo-4-nitrophenyl)methoxy]phenyl]ethanol has a molecular weight of 352.18 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-bromo-4-nitrophenyl)methoxy]phenyl]ethanol is sourced from PubChem (CID 107713238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).