2-(2-bromophenoxy)-4-methyl-1-nitrobenzene

C13H10BrNO3 — CID 75356396

IUPAC2-(2-bromophenoxy)-4-methyl-1-nitrobenzene
SMILESCc1ccc([N+](=O)[O-])c(Oc2ccccc2Br)c1
InChIInChI=1S/C13H10BrNO3/c1-9-6-7-11(15(16)17)13(8-9)18-12-5-3-2-4-10(12)14/h2-8H,1H3
InChIKeyBMCBCKMNZVMMQL-UHFFFAOYSA-N
MW308.13 g/mol
LogP4.46
Rot. Bonds3

About 2-(2-bromophenoxy)-4-methyl-1-nitrobenzene

2-(2-bromophenoxy)-4-methyl-1-nitrobenzene (PubChem CID 75356396) has the molecular formula C13H10BrNO3 and a molecular weight of 308.13 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-4-methyl-1-nitrobenzene.

Molecular Properties

Compound Name2-(2-bromophenoxy)-4-methyl-1-nitrobenzene
PubChem CID75356396
Molecular FormulaC13H10BrNO3
Molecular Weight308.13 g/mol
Exact Mass306.98
IUPAC Name2-(2-bromophenoxy)-4-methyl-1-nitrobenzene
SMILESCc1ccc([N+](=O)[O-])c(Oc2ccccc2Br)c1
InChIInChI=1S/C13H10BrNO3/c1-9-6-7-11(15(16)17)13(8-9)18-12-5-3-2-4-10(12)14/h2-8H,1H3
InChIKeyBMCBCKMNZVMMQL-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

2-bromo-6-(5-methyl-2-nitrophenoxy)benzoic acid
CID 114888655
4-(2-bromophenoxy)-2-methyl-1-nitrobenzene
CID 20610463
3-bromo-4-(5-methyl-2-nitrophenoxy)pyridine
CID 113452203
2-bromo-6-methyl-3-(5-methyl-2-nitrophenoxy)pyridine
CID 133476936
[2-(5-methyl-2-nitrophenoxy)phenyl]methanamine
CID 54915748
(1R)-1-[2-(5-methyl-2-nitrophenoxy)phenyl]ethanol
CID 78941825
(1S)-1-[2-(5-methyl-2-nitrophenoxy)phenyl]ethanol
CID 63374737
1-[3-bromo-4-(5-methyl-2-nitrophenoxy)phenyl]ethanamine
CID 62911397
3-(5-methyl-2-nitrophenoxy)-2-nitroaniline
CID 80879136
5-methyl-2-(5-methyl-2-nitrophenoxy)benzoic acid
CID 62516355
3,5-dibromo-2-(5-methyl-2-nitrophenoxy)pyridine
CID 113413888
5-bromo-4-(5-methyl-2-nitrophenoxy)pyrimidine
CID 66320498

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-4-methyl-1-nitrobenzene?
The IUPAC name of 2-(2-bromophenoxy)-4-methyl-1-nitrobenzene (CID 75356396) is 2-(2-bromophenoxy)-4-methyl-1-nitrobenzene.
What is the SMILES notation for 2-(2-bromophenoxy)-4-methyl-1-nitrobenzene?
The canonical SMILES for 2-(2-bromophenoxy)-4-methyl-1-nitrobenzene is Cc1ccc([N+](=O)[O-])c(Oc2ccccc2Br)c1.
What is the InChIKey of 2-(2-bromophenoxy)-4-methyl-1-nitrobenzene?
The InChIKey is BMCBCKMNZVMMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNO3/c1-9-6-7-11(15(16)17)13(8-9)18-12-5-3-2-4-10(12)14/h2-8H,1H3.
What are the key properties of 2-(2-bromophenoxy)-4-methyl-1-nitrobenzene?
2-(2-bromophenoxy)-4-methyl-1-nitrobenzene 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 2-(2-bromophenoxy)-4-methyl-1-nitrobenzene is sourced from PubChem (CID 75356396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).