4-bromo-1-methyl-2-(2-nitrophenoxy)benzene

C13H10BrNO3 — CID 107284372

IUPAC4-bromo-1-methyl-2-(2-nitrophenoxy)benzene
SMILESCc1ccc(Br)cc1Oc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H10BrNO3/c1-9-6-7-10(14)8-13(9)18-12-5-3-2-4-11(12)15(16)17/h2-8H,1H3
InChIKeyLHIKRVBNZYKHJS-UHFFFAOYSA-N
MW308.13 g/mol
LogP4.46
Rot. Bonds3

About 4-bromo-1-methyl-2-(2-nitrophenoxy)benzene

4-bromo-1-methyl-2-(2-nitrophenoxy)benzene (PubChem CID 107284372) has the molecular formula C13H10BrNO3 and a molecular weight of 308.13 g/mol. Its IUPAC name is 4-bromo-1-methyl-2-(2-nitrophenoxy)benzene.

Molecular Properties

Compound Name4-bromo-1-methyl-2-(2-nitrophenoxy)benzene
PubChem CID107284372
Molecular FormulaC13H10BrNO3
Molecular Weight308.13 g/mol
Exact Mass306.98
IUPAC Name4-bromo-1-methyl-2-(2-nitrophenoxy)benzene
SMILESCc1ccc(Br)cc1Oc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H10BrNO3/c1-9-6-7-10(14)8-13(9)18-12-5-3-2-4-11(12)15(16)17/h2-8H,1H3
InChIKeyLHIKRVBNZYKHJS-UHFFFAOYSA-N
XLogP4.46
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.13
LogP ≤ 54.46
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

4-bromo-1-fluoro-2-(2-nitrophenoxy)benzene
CID 114673157
4-bromo-2-(5-chloro-2-nitrophenoxy)-1-methylbenzene
CID 107284554
ethane;1-methyl-2-(2-nitrophenoxy)benzene
CID 90780994
[4-bromo-2-(2-nitrophenoxy)phenyl]methanol
CID 54915296
4-bromo-2-(2-nitrophenoxy)benzoic acid
CID 61031019
4-bromo-2-(2-iodophenoxy)-1-nitrobenzene
CID 65341768
[3-(4-bromo-2-nitrophenoxy)-4-methylphenyl]methanamine
CID 105407397
methyl 5-bromo-2-(2-nitrophenoxy)benzoate
CID 58522499
5-(5-bromo-2-methylphenoxy)-2-nitroaniline
CID 107287356
1-[3-(4-bromo-2-nitrophenoxy)-4-methylphenyl]-N-methylmethanamine
CID 105407398
(1S)-1-(5-bromo-2-methylphenyl)-1-(2-nitrophenoxy)propan-2-one
CID 59104524
1-methyl-2-nitro-3-(2-nitrophenoxy)benzene
CID 133391393

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methyl-2-(2-nitrophenoxy)benzene?
The IUPAC name of 4-bromo-1-methyl-2-(2-nitrophenoxy)benzene (CID 107284372) is 4-bromo-1-methyl-2-(2-nitrophenoxy)benzene.
What is the SMILES notation for 4-bromo-1-methyl-2-(2-nitrophenoxy)benzene?
The canonical SMILES for 4-bromo-1-methyl-2-(2-nitrophenoxy)benzene is Cc1ccc(Br)cc1Oc1ccccc1[N+](=O)[O-].
What is the InChIKey of 4-bromo-1-methyl-2-(2-nitrophenoxy)benzene?
The InChIKey is LHIKRVBNZYKHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNO3/c1-9-6-7-10(14)8-13(9)18-12-5-3-2-4-11(12)15(16)17/h2-8H,1H3.
What are the key properties of 4-bromo-1-methyl-2-(2-nitrophenoxy)benzene?
4-bromo-1-methyl-2-(2-nitrophenoxy)benzene has a molecular weight of 308.13 g/mol, XLogP of 4.46, 3 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-(2-nitrophenoxy)benzene is sourced from PubChem (CID 107284372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).