2-(4-methoxyphenoxy)-5-nitrobenzaldehyde

C14H11NO5 — CID 43113892

IUPAC2-(4-methoxyphenoxy)-5-nitrobenzaldehyde
SMILESCOc1ccc(Oc2ccc([N+](=O)[O-])cc2C=O)cc1
InChIInChI=1S/C14H11NO5/c1-19-12-3-5-13(6-4-12)20-14-7-2-11(15(17)18)8-10(14)9-16/h2-9H,1H3
InChIKeyLANHUCYOZUUVAU-UHFFFAOYSA-N
MW273.24 g/mol
LogP3.21
Rot. Bonds5

About 2-(4-methoxyphenoxy)-5-nitrobenzaldehyde

2-(4-methoxyphenoxy)-5-nitrobenzaldehyde (PubChem CID 43113892) has the molecular formula C14H11NO5 and a molecular weight of 273.24 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-5-nitrobenzaldehyde.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-5-nitrobenzaldehyde
PubChem CID43113892
Molecular FormulaC14H11NO5
Molecular Weight273.24 g/mol
Exact Mass273.06
IUPAC Name2-(4-methoxyphenoxy)-5-nitrobenzaldehyde
SMILESCOc1ccc(Oc2ccc([N+](=O)[O-])cc2C=O)cc1
InChIInChI=1S/C14H11NO5/c1-19-12-3-5-13(6-4-12)20-14-7-2-11(15(17)18)8-10(14)9-16/h2-9H,1H3
InChIKeyLANHUCYOZUUVAU-UHFFFAOYSA-N
XLogP3.21
TPSA78.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-methoxyphenyl)methoxy]-5-nitrobenzaldehyde
CID 28880484
2-(2-methoxyphenoxy)-5-nitrobenzaldehyde
CID 43113890
ethane;2-(4-methoxyphenoxy)-5-methylbenzaldehyde
CID 143820051
1,4-dimethoxy-2-(4-nitrophenoxy)benzene
CID 58929090
2-methoxy-4-nitrobenzaldehyde
CID 2759599
2-(1,3-benzodioxol-5-yloxy)-5-nitrobenzaldehyde
CID 28888032
2-bromo-4-methoxy-1-(4-nitrophenoxy)benzene
CID 104707690
2,3-dichloro-1-methoxy-4-(4-nitrophenoxy)benzene
CID 13145675
4-(methoxymethoxy)-2-(4-nitrophenoxy)benzaldehyde
CID 174758219
(E)-3-(2-methoxy-5-nitrophenyl)prop-2-enal
CID 5381132
4-(2-methyl-5-nitrophenoxy)benzaldehyde
CID 54915397
2-(2-bromophenoxy)-5-nitrobenzaldehyde
CID 28888057

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-5-nitrobenzaldehyde?
The IUPAC name of 2-(4-methoxyphenoxy)-5-nitrobenzaldehyde (CID 43113892) is 2-(4-methoxyphenoxy)-5-nitrobenzaldehyde.
What is the SMILES notation for 2-(4-methoxyphenoxy)-5-nitrobenzaldehyde?
The canonical SMILES for 2-(4-methoxyphenoxy)-5-nitrobenzaldehyde is COc1ccc(Oc2ccc([N+](=O)[O-])cc2C=O)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-5-nitrobenzaldehyde?
The InChIKey is LANHUCYOZUUVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO5/c1-19-12-3-5-13(6-4-12)20-14-7-2-11(15(17)18)8-10(14)9-16/h2-9H,1H3.
What are the key properties of 2-(4-methoxyphenoxy)-5-nitrobenzaldehyde?
2-(4-methoxyphenoxy)-5-nitrobenzaldehyde has a molecular weight of 273.24 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-5-nitrobenzaldehyde is sourced from PubChem (CID 43113892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).