2-[2-[(2-nitrophenyl)methoxy]phenoxy]acetaldehyde

C15H13NO5 — CID 11500210

IUPAC2-[2-[(2-nitrophenyl)methoxy]phenoxy]acetaldehyde
SMILESO=CCOc1ccccc1OCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H13NO5/c17-9-10-20-14-7-3-4-8-15(14)21-11-12-5-1-2-6-13(12)16(18)19/h1-9H,10-11H2
InChIKeyPQPBWPIEPRRPIU-UHFFFAOYSA-N
MW287.27 g/mol
LogP2.75
Rot. Bonds7

About 2-[2-[(2-nitrophenyl)methoxy]phenoxy]acetaldehyde

2-[2-[(2-nitrophenyl)methoxy]phenoxy]acetaldehyde (PubChem CID 11500210) has the molecular formula C15H13NO5 and a molecular weight of 287.27 g/mol. Its IUPAC name is 2-[2-[(2-nitrophenyl)methoxy]phenoxy]acetaldehyde.

Molecular Properties

Compound Name2-[2-[(2-nitrophenyl)methoxy]phenoxy]acetaldehyde
PubChem CID11500210
Molecular FormulaC15H13NO5
Molecular Weight287.27 g/mol
Exact Mass287.08
IUPAC Name2-[2-[(2-nitrophenyl)methoxy]phenoxy]acetaldehyde
SMILESO=CCOc1ccccc1OCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H13NO5/c17-9-10-20-14-7-3-4-8-15(14)21-11-12-5-1-2-6-13(12)16(18)19/h1-9H,10-11H2
InChIKeyPQPBWPIEPRRPIU-UHFFFAOYSA-N
XLogP2.75
TPSA78.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 52.75
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

1,2,3-tris[(2-nitrophenyl)methoxy]benzene
CID 139940652
2-[2-[(2-nitrophenyl)methoxy]phenoxy]ethanol
CID 110891831
4-hydroxy-3-[(2-nitrophenyl)methoxy]benzaldehyde
CID 158803973
4-methyl-2-[(2-nitrophenyl)methoxy]benzaldehyde
CID 142459215
3-fluoro-4-[(2-nitrophenyl)methoxy]benzaldehyde
CID 103850077
4-methyl-1-nitro-2-[(2-nitrophenyl)methoxy]benzene
CID 41459081
2-[2-chloro-6-[(2-nitrophenyl)methoxy]phenyl]ethanamine
CID 114321460
2-[(2-fluoro-3-nitrophenyl)methoxy]phenol
CID 107349940
O-[(2-nitrophenyl)methyl]hydroxylamine
CID 2763494
(1S)-1-[4-fluoro-2-[(2-nitrophenyl)methoxy]phenyl]ethanol
CID 63366105
1-chloro-4,5-dimethyl-2-[(2-nitrophenyl)methoxy]benzene
CID 118967411
4-bromo-2-fluoro-1-[(2-nitrophenyl)methoxy]benzene
CID 112788058

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-nitrophenyl)methoxy]phenoxy]acetaldehyde?
The IUPAC name of 2-[2-[(2-nitrophenyl)methoxy]phenoxy]acetaldehyde (CID 11500210) is 2-[2-[(2-nitrophenyl)methoxy]phenoxy]acetaldehyde.
What is the SMILES notation for 2-[2-[(2-nitrophenyl)methoxy]phenoxy]acetaldehyde?
The canonical SMILES for 2-[2-[(2-nitrophenyl)methoxy]phenoxy]acetaldehyde is O=CCOc1ccccc1OCc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-[2-[(2-nitrophenyl)methoxy]phenoxy]acetaldehyde?
The InChIKey is PQPBWPIEPRRPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO5/c17-9-10-20-14-7-3-4-8-15(14)21-11-12-5-1-2-6-13(12)16(18)19/h1-9H,10-11H2.
What are the key properties of 2-[2-[(2-nitrophenyl)methoxy]phenoxy]acetaldehyde?
2-[2-[(2-nitrophenyl)methoxy]phenoxy]acetaldehyde has a molecular weight of 287.27 g/mol, XLogP of 2.75, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-nitrophenyl)methoxy]phenoxy]acetaldehyde is sourced from PubChem (CID 11500210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).