4-[(2-methoxy-5-nitrophenyl)methoxy]benzaldehyde

C15H13NO5 — CID 43212533

IUPAC4-[(2-methoxy-5-nitrophenyl)methoxy]benzaldehyde
SMILESCOc1ccc([N+](=O)[O-])cc1COc1ccc(C=O)cc1
InChIInChI=1S/C15H13NO5/c1-20-15-7-4-13(16(18)19)8-12(15)10-21-14-5-2-11(9-17)3-6-14/h2-9H,10H2,1H3
InChIKeyKDQHFGBJIUQBHC-UHFFFAOYSA-N
MW287.27 g/mol
LogP2.99
Rot. Bonds6

About 4-[(2-methoxy-5-nitrophenyl)methoxy]benzaldehyde

4-[(2-methoxy-5-nitrophenyl)methoxy]benzaldehyde (PubChem CID 43212533) has the molecular formula C15H13NO5 and a molecular weight of 287.27 g/mol. Its IUPAC name is 4-[(2-methoxy-5-nitrophenyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name4-[(2-methoxy-5-nitrophenyl)methoxy]benzaldehyde
PubChem CID43212533
Molecular FormulaC15H13NO5
Molecular Weight287.27 g/mol
Exact Mass287.08
IUPAC Name4-[(2-methoxy-5-nitrophenyl)methoxy]benzaldehyde
SMILESCOc1ccc([N+](=O)[O-])cc1COc1ccc(C=O)cc1
InChIInChI=1S/C15H13NO5/c1-20-15-7-4-13(16(18)19)8-12(15)10-21-14-5-2-11(9-17)3-6-14/h2-9H,10H2,1H3
InChIKeyKDQHFGBJIUQBHC-UHFFFAOYSA-N
XLogP2.99
TPSA78.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 52.99
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-ethylphenoxy)methyl]-1-methoxy-4-nitrobenzene
CID 60656846
4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]benzaldehyde
CID 590887
3-methoxy-4-[2-(4-nitrophenoxy)ethoxy]benzaldehyde
CID 2293777
2-[(5-bromo-2-methoxyphenyl)methoxy]-5-nitrobenzaldehyde
CID 8808860
4-[(4-nitrophenyl)methoxy]benzaldehyde
CID 735836
4-[(2-methoxyphenyl)methoxy]benzaldehyde
CID 4129498
3-[(4-tert-butylphenoxy)methyl]-4-methoxybenzaldehyde
CID 673672
2-[(3-bromo-5-fluorophenoxy)methyl]-1-methoxy-4-nitrobenzene
CID 81314082
1-[(2-methoxy-5-nitrophenyl)methoxy]-2,4-dimethylbenzene
CID 60656948
2-[(2-methoxy-5-nitrophenyl)methoxy]-1,3-dimethylbenzene
CID 83044556
1-bromo-4,5-dimethoxy-2-[(4-nitrophenoxy)methyl]benzene
CID 8864507
(E)-1-(2,5-dimethylpyrazol-3-yl)-3-[4-methoxy-3-[(4-nitrophenoxy)methyl]phenyl]prop-2-en-1-one
CID 19565571

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxy-5-nitrophenyl)methoxy]benzaldehyde?
The IUPAC name of 4-[(2-methoxy-5-nitrophenyl)methoxy]benzaldehyde (CID 43212533) is 4-[(2-methoxy-5-nitrophenyl)methoxy]benzaldehyde.
What is the SMILES notation for 4-[(2-methoxy-5-nitrophenyl)methoxy]benzaldehyde?
The canonical SMILES for 4-[(2-methoxy-5-nitrophenyl)methoxy]benzaldehyde is COc1ccc([N+](=O)[O-])cc1COc1ccc(C=O)cc1.
What is the InChIKey of 4-[(2-methoxy-5-nitrophenyl)methoxy]benzaldehyde?
The InChIKey is KDQHFGBJIUQBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO5/c1-20-15-7-4-13(16(18)19)8-12(15)10-21-14-5-2-11(9-17)3-6-14/h2-9H,10H2,1H3.
What are the key properties of 4-[(2-methoxy-5-nitrophenyl)methoxy]benzaldehyde?
4-[(2-methoxy-5-nitrophenyl)methoxy]benzaldehyde has a molecular weight of 287.27 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxy-5-nitrophenyl)methoxy]benzaldehyde is sourced from PubChem (CID 43212533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).