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

C14H12BrNO3 — CID 107283936

IUPAC4-bromo-1-methyl-2-[(4-nitrophenyl)methoxy]benzene
SMILESCc1ccc(Br)cc1OCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H12BrNO3/c1-10-2-5-12(15)8-14(10)19-9-11-3-6-13(7-4-11)16(17)18/h2-8H,9H2,1H3
InChIKeyOIMONXAKTGTRJD-UHFFFAOYSA-N
MW322.16 g/mol
LogP4.24
Rot. Bonds4

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

4-bromo-1-methyl-2-[(4-nitrophenyl)methoxy]benzene (PubChem CID 107283936) has the molecular formula C14H12BrNO3 and a molecular weight of 322.16 g/mol. Its IUPAC name is 4-bromo-1-methyl-2-[(4-nitrophenyl)methoxy]benzene.

Molecular Properties

Compound Name4-bromo-1-methyl-2-[(4-nitrophenyl)methoxy]benzene
PubChem CID107283936
Molecular FormulaC14H12BrNO3
Molecular Weight322.16 g/mol
Exact Mass321.00
IUPAC Name4-bromo-1-methyl-2-[(4-nitrophenyl)methoxy]benzene
SMILESCc1ccc(Br)cc1OCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H12BrNO3/c1-10-2-5-12(15)8-14(10)19-9-11-3-6-13(7-4-11)16(17)18/h2-8H,9H2,1H3
InChIKeyOIMONXAKTGTRJD-UHFFFAOYSA-N
XLogP4.24
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.16
LogP ≤ 54.24
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

5-[(5-bromo-2-methylphenoxy)methyl]-N-methyl-2-nitroaniline
CID 107285483
1-[5-bromo-2-[(4-nitrophenyl)methoxy]phenyl]ethanamine
CID 62369867
[5-[(5-bromo-2-methylphenoxy)methyl]-2-nitrophenyl]hydrazine
CID 107285513
2-[(5-bromo-2-methylphenoxy)methyl]-5-nitrofuran
CID 107284289
1-[4-[(5-bromo-2-methylphenoxy)methyl]phenyl]-N-methylmethanamine
CID 107285914
2-[5-bromo-2-[(4-nitrophenyl)methoxy]phenyl]ethanamine
CID 60904816
4-bromo-2-[(E)-2-nitroethenyl]-1-[(4-nitrophenyl)methoxy]benzene
CID 126374464
4-bromo-1-[(4-methylphenyl)methoxy]-2-nitrobenzene
CID 143874994
1-bromo-2-[(4-nitrophenyl)methoxy]benzene
CID 24703938
5-(bromomethyl)-1,3-dimethyl-2-[(4-nitrophenyl)methoxy]benzene
CID 43324538
1-bromo-2-[(4-ethylphenyl)methoxy]-4-nitrobenzene
CID 103013501
(Z)-3-[5-bromo-2-[(4-nitrophenyl)methoxy]phenyl]-2-(4-methylphenyl)prop-2-enenitrile
CID 124652535

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methyl-2-[(4-nitrophenyl)methoxy]benzene?
The IUPAC name of 4-bromo-1-methyl-2-[(4-nitrophenyl)methoxy]benzene (CID 107283936) is 4-bromo-1-methyl-2-[(4-nitrophenyl)methoxy]benzene.
What is the SMILES notation for 4-bromo-1-methyl-2-[(4-nitrophenyl)methoxy]benzene?
The canonical SMILES for 4-bromo-1-methyl-2-[(4-nitrophenyl)methoxy]benzene is Cc1ccc(Br)cc1OCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-bromo-1-methyl-2-[(4-nitrophenyl)methoxy]benzene?
The InChIKey is OIMONXAKTGTRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO3/c1-10-2-5-12(15)8-14(10)19-9-11-3-6-13(7-4-11)16(17)18/h2-8H,9H2,1H3.
What are the key properties of 4-bromo-1-methyl-2-[(4-nitrophenyl)methoxy]benzene?
4-bromo-1-methyl-2-[(4-nitrophenyl)methoxy]benzene has a molecular weight of 322.16 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methyl-2-[(4-nitrophenyl)methoxy]benzene is sourced from PubChem (CID 107283936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).