4-(2-methoxy-3-nitrophenyl)benzaldehyde

C14H11NO4 — CID 57483828

IUPAC4-(2-methoxy-3-nitrophenyl)benzaldehyde
SMILESCOc1c(-c2ccc(C=O)cc2)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H11NO4/c1-19-14-12(3-2-4-13(14)15(17)18)11-7-5-10(9-16)6-8-11/h2-9H,1H3
InChIKeyRVWVOHPOLFDXJU-UHFFFAOYSA-N
MW257.25 g/mol
LogP3.08
Rot. Bonds4

About 4-(2-methoxy-3-nitrophenyl)benzaldehyde

4-(2-methoxy-3-nitrophenyl)benzaldehyde (PubChem CID 57483828) has the molecular formula C14H11NO4 and a molecular weight of 257.25 g/mol. Its IUPAC name is 4-(2-methoxy-3-nitrophenyl)benzaldehyde.

Molecular Properties

Compound Name4-(2-methoxy-3-nitrophenyl)benzaldehyde
PubChem CID57483828
Molecular FormulaC14H11NO4
Molecular Weight257.25 g/mol
Exact Mass257.07
IUPAC Name4-(2-methoxy-3-nitrophenyl)benzaldehyde
SMILESCOc1c(-c2ccc(C=O)cc2)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H11NO4/c1-19-14-12(3-2-4-13(14)15(17)18)11-7-5-10(9-16)6-8-11/h2-9H,1H3
InChIKeyRVWVOHPOLFDXJU-UHFFFAOYSA-N
XLogP3.08
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 53.08
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

2-[4-(2-methoxy-3-nitrophenyl)phenyl]-4,5-dihydro-1H-imidazole
CID 59615691
3-(4-formylphenyl)-2-methoxybenzamide
CID 58276598
potassium 2-methoxy-3-nitrophenol
CID 67083613
2-methoxy-3-(3-nitrophenyl)benzaldehyde;2-methoxy-3-phenylbenzaldehyde
CID 160754801
4-methoxy-3-nitrobenzaldehyde
CID 700608
5-(2-methoxy-3-nitrophenyl)-1-methyl-1,2,4-triazole
CID 90142163
4-(2-methoxy-3-nitrophenyl)-2,5-dimethyl-1,3-oxazole
CID 166130645
2-(4-methoxyphenyl)-3-nitrobenzaldehyde
CID 174417742
4-(2,6-dimethylphenoxy)-3-nitrobenzaldehyde
CID 28951798
3-(4-chloro-3-nitrophenyl)-4-methoxybenzaldehyde
CID 82039651
2-(1-chloroethyl)-5-(2-methoxy-3-nitrophenyl)-1,3,4-thiadiazole
CID 113386736
4-(3-amino-2-methoxyphenyl)thiophene-2-carboxylic acid;4-(2-methoxy-3-nitrophenyl)thiophene-2-carboxylic acid
CID 158634865

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-3-nitrophenyl)benzaldehyde?
The IUPAC name of 4-(2-methoxy-3-nitrophenyl)benzaldehyde (CID 57483828) is 4-(2-methoxy-3-nitrophenyl)benzaldehyde.
What is the SMILES notation for 4-(2-methoxy-3-nitrophenyl)benzaldehyde?
The canonical SMILES for 4-(2-methoxy-3-nitrophenyl)benzaldehyde is COc1c(-c2ccc(C=O)cc2)cccc1[N+](=O)[O-].
What is the InChIKey of 4-(2-methoxy-3-nitrophenyl)benzaldehyde?
The InChIKey is RVWVOHPOLFDXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO4/c1-19-14-12(3-2-4-13(14)15(17)18)11-7-5-10(9-16)6-8-11/h2-9H,1H3.
What are the key properties of 4-(2-methoxy-3-nitrophenyl)benzaldehyde?
4-(2-methoxy-3-nitrophenyl)benzaldehyde has a molecular weight of 257.25 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-3-nitrophenyl)benzaldehyde is sourced from PubChem (CID 57483828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).