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

C13H10BrNO3 — CID 20610463

IUPAC4-(2-bromophenoxy)-2-methyl-1-nitrobenzene
SMILESCc1cc(Oc2ccccc2Br)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H10BrNO3/c1-9-8-10(6-7-12(9)15(16)17)18-13-5-3-2-4-11(13)14/h2-8H,1H3
InChIKeyNSMOQJVGHSCTQA-UHFFFAOYSA-N
MW308.13 g/mol
LogP4.46
Rot. Bonds3

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

4-(2-bromophenoxy)-2-methyl-1-nitrobenzene (PubChem CID 20610463) has the molecular formula C13H10BrNO3 and a molecular weight of 308.13 g/mol. Its IUPAC name is 4-(2-bromophenoxy)-2-methyl-1-nitrobenzene.

Molecular Properties

Compound Name4-(2-bromophenoxy)-2-methyl-1-nitrobenzene
PubChem CID20610463
Molecular FormulaC13H10BrNO3
Molecular Weight308.13 g/mol
Exact Mass306.98
IUPAC Name4-(2-bromophenoxy)-2-methyl-1-nitrobenzene
SMILESCc1cc(Oc2ccccc2Br)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H10BrNO3/c1-9-8-10(6-7-12(9)15(16)17)18-13-5-3-2-4-11(13)14/h2-8H,1H3
InChIKeyNSMOQJVGHSCTQA-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-bromophenoxy)-4-methyl-1-nitrobenzene
CID 75356396
2-bromo-6-(3-methyl-4-nitrophenoxy)benzenecarboximidamide
CID 114884047
2-(2-bromophenoxy)-1-methyl-3-nitrobenzene
CID 113333873
2-methyl-4-(3-methylphenoxy)-1-nitrobenzene
CID 21071560
5-bromo-2-(3-methyl-4-nitrophenoxy)benzoic acid
CID 114896153
5-(2-bromo-4-methylphenoxy)-2-nitroaniline
CID 106751987
[4-bromo-2-(3-methyl-4-nitrophenoxy)phenyl]methanamine
CID 61030911
1-[2-fluoro-6-(3-methyl-4-nitrophenoxy)phenyl]ethanamine
CID 61031032
1-(4-methylphenoxy)-2-nitrobenzene
CID 3377310
1-[4-bromo-2-(3-methyl-4-nitrophenoxy)phenyl]-N-methylmethanamine
CID 61031660
ethane;4-methoxy-2-methyl-1-nitrobenzene
CID 142240098
3-(3-methyl-4-nitrophenoxy)pyridine
CID 19042898

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenoxy)-2-methyl-1-nitrobenzene?
The IUPAC name of 4-(2-bromophenoxy)-2-methyl-1-nitrobenzene (CID 20610463) is 4-(2-bromophenoxy)-2-methyl-1-nitrobenzene.
What is the SMILES notation for 4-(2-bromophenoxy)-2-methyl-1-nitrobenzene?
The canonical SMILES for 4-(2-bromophenoxy)-2-methyl-1-nitrobenzene is Cc1cc(Oc2ccccc2Br)ccc1[N+](=O)[O-].
What is the InChIKey of 4-(2-bromophenoxy)-2-methyl-1-nitrobenzene?
The InChIKey is NSMOQJVGHSCTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNO3/c1-9-8-10(6-7-12(9)15(16)17)18-13-5-3-2-4-11(13)14/h2-8H,1H3.
What are the key properties of 4-(2-bromophenoxy)-2-methyl-1-nitrobenzene?
4-(2-bromophenoxy)-2-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 4-(2-bromophenoxy)-2-methyl-1-nitrobenzene is sourced from PubChem (CID 20610463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).