4-bromo-2-(2-methyl-5-nitrophenoxy)benzaldehyde

C14H10BrNO4 — CID 61030930

IUPAC4-bromo-2-(2-methyl-5-nitrophenoxy)benzaldehyde
SMILESCc1ccc([N+](=O)[O-])cc1Oc1cc(Br)ccc1C=O
InChIInChI=1S/C14H10BrNO4/c1-9-2-5-12(16(18)19)7-13(9)20-14-6-11(15)4-3-10(14)8-17/h2-8H,1H3
InChIKeyVNANINCHAJNMRR-UHFFFAOYSA-N
MW336.14 g/mol
LogP4.27
Rot. Bonds4

About 4-bromo-2-(2-methyl-5-nitrophenoxy)benzaldehyde

4-bromo-2-(2-methyl-5-nitrophenoxy)benzaldehyde (PubChem CID 61030930) has the molecular formula C14H10BrNO4 and a molecular weight of 336.14 g/mol. Its IUPAC name is 4-bromo-2-(2-methyl-5-nitrophenoxy)benzaldehyde.

Molecular Properties

Compound Name4-bromo-2-(2-methyl-5-nitrophenoxy)benzaldehyde
PubChem CID61030930
Molecular FormulaC14H10BrNO4
Molecular Weight336.14 g/mol
Exact Mass334.98
IUPAC Name4-bromo-2-(2-methyl-5-nitrophenoxy)benzaldehyde
SMILESCc1ccc([N+](=O)[O-])cc1Oc1cc(Br)ccc1C=O
InChIInChI=1S/C14H10BrNO4/c1-9-2-5-12(16(18)19)7-13(9)20-14-6-11(15)4-3-10(14)8-17/h2-8H,1H3
InChIKeyVNANINCHAJNMRR-UHFFFAOYSA-N
XLogP4.27
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.14
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-(2,5-dimethylphenoxy)benzaldehyde
CID 43364705
4-bromo-2-(4-bromo-2-methyl-6-nitrophenoxy)benzaldehyde
CID 79842280
(2-formyl-5-nitrophenyl) hypobromite
CID 174599532
2-methoxy-4-nitrobenzaldehyde
CID 2759599
1-methyl-2-(2-methylphenoxy)-4-nitrobenzene
CID 141213326
4-(2-methyl-5-nitrophenoxy)benzaldehyde
CID 54915397
5-bromo-2-(2-methyl-5-nitrophenoxy)pyridine
CID 61373997
4-bromo-2-(2,4-dimethylphenoxy)benzaldehyde
CID 43364692
4-bromo-1-methyl-2-(2-nitrophenoxy)benzene
CID 107284372
4-bromo-2-(2,6-dimethylphenoxy)benzaldehyde
CID 43364688
4-bromo-1-methyl-2-[(4-nitrophenyl)methoxy]benzene
CID 107283936
3,5-dibromo-2-(2-methyl-5-nitrophenoxy)pyridine
CID 113413889

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2-methyl-5-nitrophenoxy)benzaldehyde?
The IUPAC name of 4-bromo-2-(2-methyl-5-nitrophenoxy)benzaldehyde (CID 61030930) is 4-bromo-2-(2-methyl-5-nitrophenoxy)benzaldehyde.
What is the SMILES notation for 4-bromo-2-(2-methyl-5-nitrophenoxy)benzaldehyde?
The canonical SMILES for 4-bromo-2-(2-methyl-5-nitrophenoxy)benzaldehyde is Cc1ccc([N+](=O)[O-])cc1Oc1cc(Br)ccc1C=O.
What is the InChIKey of 4-bromo-2-(2-methyl-5-nitrophenoxy)benzaldehyde?
The InChIKey is VNANINCHAJNMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNO4/c1-9-2-5-12(16(18)19)7-13(9)20-14-6-11(15)4-3-10(14)8-17/h2-8H,1H3.
What are the key properties of 4-bromo-2-(2-methyl-5-nitrophenoxy)benzaldehyde?
4-bromo-2-(2-methyl-5-nitrophenoxy)benzaldehyde has a molecular weight of 336.14 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2-methyl-5-nitrophenoxy)benzaldehyde is sourced from PubChem (CID 61030930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).