1-bromo-2-[(4-nitrophenyl)methoxy]benzene

C13H10BrNO3 — CID 24703938

IUPAC1-bromo-2-[(4-nitrophenyl)methoxy]benzene
SMILESO=[N+]([O-])c1ccc(COc2ccccc2Br)cc1
InChIInChI=1S/C13H10BrNO3/c14-12-3-1-2-4-13(12)18-9-10-5-7-11(8-6-10)15(16)17/h1-8H,9H2
InChIKeyBNPOQGNAJPXQDK-UHFFFAOYSA-N
MW308.13 g/mol
LogP3.94
Rot. Bonds4

About 1-bromo-2-[(4-nitrophenyl)methoxy]benzene

1-bromo-2-[(4-nitrophenyl)methoxy]benzene (PubChem CID 24703938) has the molecular formula C13H10BrNO3 and a molecular weight of 308.13 g/mol. Its IUPAC name is 1-bromo-2-[(4-nitrophenyl)methoxy]benzene.

Molecular Properties

Compound Name1-bromo-2-[(4-nitrophenyl)methoxy]benzene
PubChem CID24703938
Molecular FormulaC13H10BrNO3
Molecular Weight308.13 g/mol
Exact Mass306.98
IUPAC Name1-bromo-2-[(4-nitrophenyl)methoxy]benzene
SMILESO=[N+]([O-])c1ccc(COc2ccccc2Br)cc1
InChIInChI=1S/C13H10BrNO3/c14-12-3-1-2-4-13(12)18-9-10-5-7-11(8-6-10)15(16)17/h1-8H,9H2
InChIKeyBNPOQGNAJPXQDK-UHFFFAOYSA-N
XLogP3.94
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.13
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

3-[(4-nitrophenyl)methoxy]benzene-1,2-diol
CID 139940676
1-[(4-nitrophenyl)methoxy]-2-propan-2-ylbenzene
CID 60627375
1-bromo-2-[(4-ethylphenyl)methoxy]-4-nitrobenzene
CID 103013501
1-bromo-2-[(4-chlorophenyl)methoxy]-4-nitrobenzene
CID 25235957
1-chloro-2-(chloromethyl)-3-[(4-nitrophenyl)methoxy]benzene
CID 114320815
1-nitro-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 561294
4-bromo-1-methyl-2-[(4-nitrophenyl)methoxy]benzene
CID 107283936
1-diphenylphosphoryl-2-[(4-nitrophenyl)methoxy]benzene
CID 19587731
(NE)-N-[[2-[(4-nitrophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 6898170
(2-bromophenyl) 4-nitrobenzoate
CID 7733538
N,N-dimethyl-2-[(4-nitrophenyl)methoxy]benzenesulfonamide
CID 175248720
N-[[2-[(4-nitrophenyl)methoxy]phenyl]methyl]aniline
CID 126118215

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[(4-nitrophenyl)methoxy]benzene?
The IUPAC name of 1-bromo-2-[(4-nitrophenyl)methoxy]benzene (CID 24703938) is 1-bromo-2-[(4-nitrophenyl)methoxy]benzene.
What is the SMILES notation for 1-bromo-2-[(4-nitrophenyl)methoxy]benzene?
The canonical SMILES for 1-bromo-2-[(4-nitrophenyl)methoxy]benzene is O=[N+]([O-])c1ccc(COc2ccccc2Br)cc1.
What is the InChIKey of 1-bromo-2-[(4-nitrophenyl)methoxy]benzene?
The InChIKey is BNPOQGNAJPXQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNO3/c14-12-3-1-2-4-13(12)18-9-10-5-7-11(8-6-10)15(16)17/h1-8H,9H2.
What are the key properties of 1-bromo-2-[(4-nitrophenyl)methoxy]benzene?
1-bromo-2-[(4-nitrophenyl)methoxy]benzene has a molecular weight of 308.13 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[(4-nitrophenyl)methoxy]benzene is sourced from PubChem (CID 24703938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).