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

C14H10ClNO4 — CID 114844980

IUPAC5-chloro-2-(2-methyl-4-nitrophenoxy)benzaldehyde
SMILESCc1cc([N+](=O)[O-])ccc1Oc1ccc(Cl)cc1C=O
InChIInChI=1S/C14H10ClNO4/c1-9-6-12(16(18)19)3-5-13(9)20-14-4-2-11(15)7-10(14)8-17/h2-8H,1H3
InChIKeyJJBDRQUFJWSCQU-UHFFFAOYSA-N
MW291.69 g/mol
LogP4.16
Rot. Bonds4

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

5-chloro-2-(2-methyl-4-nitrophenoxy)benzaldehyde (PubChem CID 114844980) has the molecular formula C14H10ClNO4 and a molecular weight of 291.69 g/mol. Its IUPAC name is 5-chloro-2-(2-methyl-4-nitrophenoxy)benzaldehyde.

Molecular Properties

Compound Name5-chloro-2-(2-methyl-4-nitrophenoxy)benzaldehyde
PubChem CID114844980
Molecular FormulaC14H10ClNO4
Molecular Weight291.69 g/mol
Exact Mass291.03
IUPAC Name5-chloro-2-(2-methyl-4-nitrophenoxy)benzaldehyde
SMILESCc1cc([N+](=O)[O-])ccc1Oc1ccc(Cl)cc1C=O
InChIInChI=1S/C14H10ClNO4/c1-9-6-12(16(18)19)3-5-13(9)20-14-4-2-11(15)7-10(14)8-17/h2-8H,1H3
InChIKeyJJBDRQUFJWSCQU-UHFFFAOYSA-N
XLogP4.16
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.69
LogP ≤ 54.16
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-chloro-2-methylphenoxy)-5-nitroaniline
CID 62508306
2-(4-chloro-2-methylphenoxy)benzaldehyde
CID 30054969
1-[5-chloro-2-(2,4-dinitrophenoxy)phenyl]-N-(4-methylphenyl)methanimine
CID 126218432
2-chloro-1-(2,4-dichlorophenoxy)-4-nitrobenzene
CID 2726875
2-(2-methoxyphenoxy)-5-nitrobenzaldehyde
CID 43113890
2-(4-chloro-2-methylphenoxy)-5-nitropyridine
CID 2800136
4-(4-chloro-2-formylphenoxy)-3,5-dimethylbenzonitrile
CID 114844943
1-(2-fluoro-4-nitrophenoxy)-2,4-dimethylbenzene
CID 101232592
2-(4-methoxyphenoxy)-5-nitrobenzaldehyde
CID 43113892
5-chloro-2-(2-methoxy-4-methylphenoxy)benzaldehyde
CID 114844661
5-chloro-2-(2-chloro-6-nitrophenoxy)benzaldehyde
CID 107717215
2-[2-(bromomethyl)-4-nitrophenoxy]-4-chloro-1-methylbenzene
CID 107088797

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-methyl-4-nitrophenoxy)benzaldehyde?
The IUPAC name of 5-chloro-2-(2-methyl-4-nitrophenoxy)benzaldehyde (CID 114844980) is 5-chloro-2-(2-methyl-4-nitrophenoxy)benzaldehyde.
What is the SMILES notation for 5-chloro-2-(2-methyl-4-nitrophenoxy)benzaldehyde?
The canonical SMILES for 5-chloro-2-(2-methyl-4-nitrophenoxy)benzaldehyde is Cc1cc([N+](=O)[O-])ccc1Oc1ccc(Cl)cc1C=O.
What is the InChIKey of 5-chloro-2-(2-methyl-4-nitrophenoxy)benzaldehyde?
The InChIKey is JJBDRQUFJWSCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO4/c1-9-6-12(16(18)19)3-5-13(9)20-14-4-2-11(15)7-10(14)8-17/h2-8H,1H3.
What are the key properties of 5-chloro-2-(2-methyl-4-nitrophenoxy)benzaldehyde?
5-chloro-2-(2-methyl-4-nitrophenoxy)benzaldehyde has a molecular weight of 291.69 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-methyl-4-nitrophenoxy)benzaldehyde is sourced from PubChem (CID 114844980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).