4-methyl-2-[(2-nitrophenyl)methoxy]benzaldehyde

C15H13NO4 — CID 142459215

IUPAC4-methyl-2-[(2-nitrophenyl)methoxy]benzaldehyde
SMILESCc1ccc(C=O)c(OCc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C15H13NO4/c1-11-6-7-12(9-17)15(8-11)20-10-13-4-2-3-5-14(13)16(18)19/h2-9H,10H2,1H3
InChIKeyFCWJUMJCMNZKLQ-UHFFFAOYSA-N
MW271.27 g/mol
LogP3.29
Rot. Bonds5

About 4-methyl-2-[(2-nitrophenyl)methoxy]benzaldehyde

4-methyl-2-[(2-nitrophenyl)methoxy]benzaldehyde (PubChem CID 142459215) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is 4-methyl-2-[(2-nitrophenyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name4-methyl-2-[(2-nitrophenyl)methoxy]benzaldehyde
PubChem CID142459215
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name4-methyl-2-[(2-nitrophenyl)methoxy]benzaldehyde
SMILESCc1ccc(C=O)c(OCc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C15H13NO4/c1-11-6-7-12(9-17)15(8-11)20-10-13-4-2-3-5-14(13)16(18)19/h2-9H,10H2,1H3
InChIKeyFCWJUMJCMNZKLQ-UHFFFAOYSA-N
XLogP3.29
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 53.29
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-methyl-1-nitro-2-[(2-nitrophenyl)methoxy]benzene
CID 41459081
4-methyl-2-[(2-methylphenyl)methoxy]-1-nitrobenzene
CID 52542193
1-chloro-4,5-dimethyl-2-[(2-nitrophenyl)methoxy]benzene
CID 118967411
1,3-dimethyl-5-[(2-nitrophenyl)methoxy]benzene
CID 60627121
2-[2-[(2-nitrophenyl)methoxy]phenoxy]acetaldehyde
CID 11500210
4-hydroxy-3-[(2-nitrophenyl)methoxy]benzaldehyde
CID 158803973
3-fluoro-4-[(2-nitrophenyl)methoxy]benzaldehyde
CID 103850077
1,2,3-tris[(2-nitrophenyl)methoxy]benzene
CID 139940652
2-[(2,4-dimethylphenoxy)methyl]benzaldehyde
CID 19879846
4-methyl-3-[(2-nitrophenyl)methoxy]benzonitrile
CID 103760077
5-(bromomethyl)-1,3-dimethyl-2-[(2-nitrophenyl)methoxy]benzene
CID 10784024
2-[(2-fluoro-5-methylphenoxy)methyl]-N-methyl-6-nitroaniline
CID 107352413

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2-nitrophenyl)methoxy]benzaldehyde?
The IUPAC name of 4-methyl-2-[(2-nitrophenyl)methoxy]benzaldehyde (CID 142459215) is 4-methyl-2-[(2-nitrophenyl)methoxy]benzaldehyde.
What is the SMILES notation for 4-methyl-2-[(2-nitrophenyl)methoxy]benzaldehyde?
The canonical SMILES for 4-methyl-2-[(2-nitrophenyl)methoxy]benzaldehyde is Cc1ccc(C=O)c(OCc2ccccc2[N+](=O)[O-])c1.
What is the InChIKey of 4-methyl-2-[(2-nitrophenyl)methoxy]benzaldehyde?
The InChIKey is FCWJUMJCMNZKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c1-11-6-7-12(9-17)15(8-11)20-10-13-4-2-3-5-14(13)16(18)19/h2-9H,10H2,1H3.
What are the key properties of 4-methyl-2-[(2-nitrophenyl)methoxy]benzaldehyde?
4-methyl-2-[(2-nitrophenyl)methoxy]benzaldehyde has a molecular weight of 271.27 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2-nitrophenyl)methoxy]benzaldehyde is sourced from PubChem (CID 142459215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).