2-(2-bromophenoxy)-1-methyl-3-nitrobenzene

C13H10BrNO3 — CID 113333873

IUPAC2-(2-bromophenoxy)-1-methyl-3-nitrobenzene
SMILESCc1cccc([N+](=O)[O-])c1Oc1ccccc1Br
InChIInChI=1S/C13H10BrNO3/c1-9-5-4-7-11(15(16)17)13(9)18-12-8-3-2-6-10(12)14/h2-8H,1H3
InChIKeyCXVLLKQIRANRCI-UHFFFAOYSA-N
MW308.13 g/mol
LogP4.46
Rot. Bonds3

About 2-(2-bromophenoxy)-1-methyl-3-nitrobenzene

2-(2-bromophenoxy)-1-methyl-3-nitrobenzene (PubChem CID 113333873) has the molecular formula C13H10BrNO3 and a molecular weight of 308.13 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-1-methyl-3-nitrobenzene.

Molecular Properties

Compound Name2-(2-bromophenoxy)-1-methyl-3-nitrobenzene
PubChem CID113333873
Molecular FormulaC13H10BrNO3
Molecular Weight308.13 g/mol
Exact Mass306.98
IUPAC Name2-(2-bromophenoxy)-1-methyl-3-nitrobenzene
SMILESCc1cccc([N+](=O)[O-])c1Oc1ccccc1Br
InChIInChI=1S/C13H10BrNO3/c1-9-5-4-7-11(15(16)17)13(9)18-12-8-3-2-6-10(12)14/h2-8H,1H3
InChIKeyCXVLLKQIRANRCI-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-(2-bromo-4-fluorophenoxy)-1-methyl-3-nitrobenzene
CID 115551202
2-(2-methyl-6-nitrophenoxy)benzoic acid
CID 115554008
4-(2-bromophenoxy)-2-methyl-1-nitrobenzene
CID 20610463
2-(2-bromophenoxy)-4-methyl-1-nitrobenzene
CID 75356396
2-(2-bromophenoxy)-3-methylaniline
CID 115550883
4-(2-bromophenoxy)-3-nitroquinoline
CID 103963836
ethane;1-methyl-2-(2-nitrophenoxy)benzene
CID 90780994
1-methyl-2-nitro-3-(2-nitrophenoxy)benzene
CID 133391393
3-(2-bromo-6-nitrophenoxy)-4-methylbenzoic acid
CID 105405887
1-bromo-2-[5-(chloromethyl)-2-methylphenoxy]-3-nitrobenzene
CID 105406109
(1R)-1-[2-(2-bromo-6-nitrophenoxy)phenyl]propan-1-amine
CID 103959439
1-bromo-2-nitrobenzene;ethane
CID 91072043

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-1-methyl-3-nitrobenzene?
The IUPAC name of 2-(2-bromophenoxy)-1-methyl-3-nitrobenzene (CID 113333873) is 2-(2-bromophenoxy)-1-methyl-3-nitrobenzene.
What is the SMILES notation for 2-(2-bromophenoxy)-1-methyl-3-nitrobenzene?
The canonical SMILES for 2-(2-bromophenoxy)-1-methyl-3-nitrobenzene is Cc1cccc([N+](=O)[O-])c1Oc1ccccc1Br.
What is the InChIKey of 2-(2-bromophenoxy)-1-methyl-3-nitrobenzene?
The InChIKey is CXVLLKQIRANRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNO3/c1-9-5-4-7-11(15(16)17)13(9)18-12-8-3-2-6-10(12)14/h2-8H,1H3.
What are the key properties of 2-(2-bromophenoxy)-1-methyl-3-nitrobenzene?
2-(2-bromophenoxy)-1-methyl-3-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)-1-methyl-3-nitrobenzene is sourced from PubChem (CID 113333873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).