1-[(2-bromo-4-nitrophenyl)methoxy]-2,3-dimethylbenzene

C15H14BrNO3 — CID 103432348

IUPAC1-[(2-bromo-4-nitrophenyl)methoxy]-2,3-dimethylbenzene
SMILESCc1cccc(OCc2ccc([N+](=O)[O-])cc2Br)c1C
InChIInChI=1S/C15H14BrNO3/c1-10-4-3-5-15(11(10)2)20-9-12-6-7-13(17(18)19)8-14(12)16/h3-8H,9H2,1-2H3
InChIKeyUSWNFPXGJNROSX-UHFFFAOYSA-N
MW336.19 g/mol
LogP4.55
Rot. Bonds4

About 1-[(2-bromo-4-nitrophenyl)methoxy]-2,3-dimethylbenzene

1-[(2-bromo-4-nitrophenyl)methoxy]-2,3-dimethylbenzene (PubChem CID 103432348) has the molecular formula C15H14BrNO3 and a molecular weight of 336.19 g/mol. Its IUPAC name is 1-[(2-bromo-4-nitrophenyl)methoxy]-2,3-dimethylbenzene.

Molecular Properties

Compound Name1-[(2-bromo-4-nitrophenyl)methoxy]-2,3-dimethylbenzene
PubChem CID103432348
Molecular FormulaC15H14BrNO3
Molecular Weight336.19 g/mol
Exact Mass335.02
IUPAC Name1-[(2-bromo-4-nitrophenyl)methoxy]-2,3-dimethylbenzene
SMILESCc1cccc(OCc2ccc([N+](=O)[O-])cc2Br)c1C
InChIInChI=1S/C15H14BrNO3/c1-10-4-3-5-15(11(10)2)20-9-12-6-7-13(17(18)19)8-14(12)16/h3-8H,9H2,1-2H3
InChIKeyUSWNFPXGJNROSX-UHFFFAOYSA-N
XLogP4.55
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 54.55
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

1-(bromomethyl)-2-[(2-bromo-4-nitrophenyl)methoxy]-3-methylbenzene
CID 115956850
2-bromo-1-[(2-chlorophenoxy)methyl]-4-nitrobenzene
CID 64764344
2-[2-[(2-bromo-4-nitrophenyl)methoxy]phenyl]ethanol
CID 107713238
1-[3-bromo-4-[(2,3-dimethylphenoxy)methyl]phenyl]-N-methylmethanamine
CID 102772902
1-[(4-bromo-3-nitrophenyl)methoxy]-2,3-dimethylbenzene
CID 115557951
2-bromo-1-[[2-(bromomethyl)-4-fluorophenoxy]methyl]-4-nitrobenzene
CID 107699082
2-bromo-1-[(3-ethylphenoxy)methyl]-4-nitrobenzene
CID 64764185
[3-[(2-bromo-4-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanol
CID 79158522
1-[(3-fluoro-5-nitrophenyl)methoxy]-2,3-dimethylbenzene
CID 103432395
3-[(2-bromo-4-nitrophenyl)methoxy]-5-methylphenol
CID 107680337
1-chloro-2-[(2-methylphenoxy)methyl]-4-nitrobenzene
CID 43169195
2-fluoro-1-[(2-methoxy-5-nitrophenyl)methoxy]-3-methylbenzene
CID 103988326

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-4-nitrophenyl)methoxy]-2,3-dimethylbenzene?
The IUPAC name of 1-[(2-bromo-4-nitrophenyl)methoxy]-2,3-dimethylbenzene (CID 103432348) is 1-[(2-bromo-4-nitrophenyl)methoxy]-2,3-dimethylbenzene.
What is the SMILES notation for 1-[(2-bromo-4-nitrophenyl)methoxy]-2,3-dimethylbenzene?
The canonical SMILES for 1-[(2-bromo-4-nitrophenyl)methoxy]-2,3-dimethylbenzene is Cc1cccc(OCc2ccc([N+](=O)[O-])cc2Br)c1C.
What is the InChIKey of 1-[(2-bromo-4-nitrophenyl)methoxy]-2,3-dimethylbenzene?
The InChIKey is USWNFPXGJNROSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO3/c1-10-4-3-5-15(11(10)2)20-9-12-6-7-13(17(18)19)8-14(12)16/h3-8H,9H2,1-2H3.
What are the key properties of 1-[(2-bromo-4-nitrophenyl)methoxy]-2,3-dimethylbenzene?
1-[(2-bromo-4-nitrophenyl)methoxy]-2,3-dimethylbenzene has a molecular weight of 336.19 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-4-nitrophenyl)methoxy]-2,3-dimethylbenzene is sourced from PubChem (CID 103432348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).