5-chloro-2-[(3-nitrophenyl)methoxy]benzaldehyde

C14H10ClNO4 — CID 43244315

IUPAC5-chloro-2-[(3-nitrophenyl)methoxy]benzaldehyde
SMILESO=Cc1cc(Cl)ccc1OCc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H10ClNO4/c15-12-4-5-14(11(7-12)8-17)20-9-10-2-1-3-13(6-10)16(18)19/h1-8H,9H2
InChIKeyWJCBTRITFOQLJH-UHFFFAOYSA-N
MW291.69 g/mol
LogP3.64
Rot. Bonds5

About 5-chloro-2-[(3-nitrophenyl)methoxy]benzaldehyde

5-chloro-2-[(3-nitrophenyl)methoxy]benzaldehyde (PubChem CID 43244315) has the molecular formula C14H10ClNO4 and a molecular weight of 291.69 g/mol. Its IUPAC name is 5-chloro-2-[(3-nitrophenyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name5-chloro-2-[(3-nitrophenyl)methoxy]benzaldehyde
PubChem CID43244315
Molecular FormulaC14H10ClNO4
Molecular Weight291.69 g/mol
Exact Mass291.03
IUPAC Name5-chloro-2-[(3-nitrophenyl)methoxy]benzaldehyde
SMILESO=Cc1cc(Cl)ccc1OCc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H10ClNO4/c15-12-4-5-14(11(7-12)8-17)20-9-10-2-1-3-13(6-10)16(18)19/h1-8H,9H2
InChIKeyWJCBTRITFOQLJH-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

2-[(3-chloro-4-fluorophenyl)methoxy]-5-nitrobenzaldehyde
CID 102974826
(1R)-1-[5-chloro-2-[(3-nitrophenyl)methoxy]phenyl]ethanol
CID 63364333
(4Z)-4-[[5-chloro-2-[(3-nitrophenyl)methoxy]phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione
CID 6157817
1,2-dichloro-3-[(3-nitrophenyl)methoxy]benzene
CID 112787351
2-[(3-fluoro-4-methoxyphenyl)methoxy]-5-nitrobenzaldehyde
CID 8534779
2-[(3-chlorophenyl)methoxy]-5-methylbenzaldehyde
CID 55206091
2-[(3-nitrophenyl)methoxy]aniline
CID 55032299
6-methyl-3-[(3-nitrophenyl)methoxy]pyridine-2-carbaldehyde
CID 78929256
[2-[(3-chlorophenyl)methoxy]-5-nitrophenyl]methanol
CID 43472956
2-[(4-methoxyphenyl)methoxy]-5-nitrobenzaldehyde
CID 28880484
5-chloro-2-[(4-methylphenyl)methoxy]benzaldehyde
CID 892242
[2-chloro-6-[(3-nitrophenyl)methoxy]phenyl]methanol
CID 114320381

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(3-nitrophenyl)methoxy]benzaldehyde?
The IUPAC name of 5-chloro-2-[(3-nitrophenyl)methoxy]benzaldehyde (CID 43244315) is 5-chloro-2-[(3-nitrophenyl)methoxy]benzaldehyde.
What is the SMILES notation for 5-chloro-2-[(3-nitrophenyl)methoxy]benzaldehyde?
The canonical SMILES for 5-chloro-2-[(3-nitrophenyl)methoxy]benzaldehyde is O=Cc1cc(Cl)ccc1OCc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 5-chloro-2-[(3-nitrophenyl)methoxy]benzaldehyde?
The InChIKey is WJCBTRITFOQLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO4/c15-12-4-5-14(11(7-12)8-17)20-9-10-2-1-3-13(6-10)16(18)19/h1-8H,9H2.
What are the key properties of 5-chloro-2-[(3-nitrophenyl)methoxy]benzaldehyde?
5-chloro-2-[(3-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 5-chloro-2-[(3-nitrophenyl)methoxy]benzaldehyde is sourced from PubChem (CID 43244315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).