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

C14H10ClNO4 — CID 60722601

IUPAC4-[(4-chloro-2-nitrophenyl)methoxy]benzaldehyde
SMILESO=Cc1ccc(OCc2ccc(Cl)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C14H10ClNO4/c15-12-4-3-11(14(7-12)16(18)19)9-20-13-5-1-10(8-17)2-6-13/h1-8H,9H2
InChIKeyIOBQHZWJCGYIDK-UHFFFAOYSA-N
MW291.69 g/mol
LogP3.64
Rot. Bonds5

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

4-[(4-chloro-2-nitrophenyl)methoxy]benzaldehyde (PubChem CID 60722601) has the molecular formula C14H10ClNO4 and a molecular weight of 291.69 g/mol. Its IUPAC name is 4-[(4-chloro-2-nitrophenyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name4-[(4-chloro-2-nitrophenyl)methoxy]benzaldehyde
PubChem CID60722601
Molecular FormulaC14H10ClNO4
Molecular Weight291.69 g/mol
Exact Mass291.03
IUPAC Name4-[(4-chloro-2-nitrophenyl)methoxy]benzaldehyde
SMILESO=Cc1ccc(OCc2ccc(Cl)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C14H10ClNO4/c15-12-4-3-11(14(7-12)16(18)19)9-20-13-5-1-10(8-17)2-6-13/h1-8H,9H2
InChIKeyIOBQHZWJCGYIDK-UHFFFAOYSA-N
XLogP3.64
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.69
LogP ≤ 53.64
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

5-[(4-chloro-2-nitrophenyl)methoxy]pyridine-2-carbaldehyde
CID 79794595
[4-[(4-chloro-2-nitrophenyl)methoxy]phenyl]methanamine
CID 62100063
4-[(4-chloro-2-nitrophenyl)methoxy]-2-fluoro-1-methylbenzene
CID 107171523
4-[(4-chloro-2-fluorophenyl)methoxy]-3-nitrobenzaldehyde
CID 114849387
2-[(4-chloro-2-nitrophenyl)methoxy]-3-fluorobenzaldehyde
CID 115955783
2-[(4-bromo-2-nitrophenyl)methoxy]-5-chlorobenzaldehyde
CID 114381646
4-[(4-bromo-2-nitrophenyl)methoxy]-3-chlorobenzaldehyde
CID 114381649
[4-[(5-chloro-2-nitrophenyl)methoxy]phenyl]methanol
CID 79214399
1-(butoxymethyl)-4-chloro-2-nitrobenzene
CID 91725296
1-[(4-chloro-2-nitrophenyl)methoxy]-2,4-dimethylbenzene
CID 64764424
bis[(4-chloro-2-nitrophenyl)methyl] butanedioate
CID 91725719
4-[(2-methoxy-5-nitrophenyl)methoxy]benzaldehyde
CID 43212533

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-2-nitrophenyl)methoxy]benzaldehyde?
The IUPAC name of 4-[(4-chloro-2-nitrophenyl)methoxy]benzaldehyde (CID 60722601) is 4-[(4-chloro-2-nitrophenyl)methoxy]benzaldehyde.
What is the SMILES notation for 4-[(4-chloro-2-nitrophenyl)methoxy]benzaldehyde?
The canonical SMILES for 4-[(4-chloro-2-nitrophenyl)methoxy]benzaldehyde is O=Cc1ccc(OCc2ccc(Cl)cc2[N+](=O)[O-])cc1.
What is the InChIKey of 4-[(4-chloro-2-nitrophenyl)methoxy]benzaldehyde?
The InChIKey is IOBQHZWJCGYIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO4/c15-12-4-3-11(14(7-12)16(18)19)9-20-13-5-1-10(8-17)2-6-13/h1-8H,9H2.
What are the key properties of 4-[(4-chloro-2-nitrophenyl)methoxy]benzaldehyde?
4-[(4-chloro-2-nitrophenyl)methoxy]benzaldehyde has a molecular weight of 291.69 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-2-nitrophenyl)methoxy]benzaldehyde is sourced from PubChem (CID 60722601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).