4-(methoxymethoxy)-2-(4-nitrophenoxy)benzaldehyde

C15H13NO6 — CID 174758219

IUPAC4-(methoxymethoxy)-2-(4-nitrophenoxy)benzaldehyde
SMILESCOCOc1ccc(C=O)c(Oc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C15H13NO6/c1-20-10-21-14-5-2-11(9-17)15(8-14)22-13-6-3-12(4-7-13)16(18)19/h2-9H,10H2,1H3
InChIKeyTUPZJCJXGDMAMU-UHFFFAOYSA-N
MW303.27 g/mol
LogP3.18
Rot. Bonds7

About 4-(methoxymethoxy)-2-(4-nitrophenoxy)benzaldehyde

4-(methoxymethoxy)-2-(4-nitrophenoxy)benzaldehyde (PubChem CID 174758219) has the molecular formula C15H13NO6 and a molecular weight of 303.27 g/mol. Its IUPAC name is 4-(methoxymethoxy)-2-(4-nitrophenoxy)benzaldehyde.

Molecular Properties

Compound Name4-(methoxymethoxy)-2-(4-nitrophenoxy)benzaldehyde
PubChem CID174758219
Molecular FormulaC15H13NO6
Molecular Weight303.27 g/mol
Exact Mass303.07
IUPAC Name4-(methoxymethoxy)-2-(4-nitrophenoxy)benzaldehyde
SMILESCOCOc1ccc(C=O)c(Oc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C15H13NO6/c1-20-10-21-14-5-2-11(9-17)15(8-14)22-13-6-3-12(4-7-13)16(18)19/h2-9H,10H2,1H3
InChIKeyTUPZJCJXGDMAMU-UHFFFAOYSA-N
XLogP3.18
TPSA87.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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-methoxyphenoxy)-5-nitrobenzaldehyde
CID 43113892
4-(methoxymethoxy)-2-(trifluoromethoxy)benzaldehyde
CID 164896154
2-methoxy-4-nitrobenzaldehyde
CID 2759599
2-bromo-4-(methoxymethoxy)benzaldehyde
CID 24829119
1,4-dimethoxy-2-(4-nitrophenoxy)benzene
CID 58929090
2-(methoxymethoxy)-4-(trifluoromethoxy)benzaldehyde
CID 53465447
4-(2-methyl-5-nitrophenoxy)benzaldehyde
CID 54915397
2-[(4-methoxyphenyl)methoxy]-5-nitrobenzaldehyde
CID 28880484
2,3-dichloro-1-methoxy-4-(4-nitrophenoxy)benzene
CID 13145675
4-nitro-3-(4-nitrophenoxy)benzaldehyde
CID 133447393
1,2-bis(methoxymethoxy)-4-[(1E,3E)-4-(4-nitrophenyl)buta-1,3-dienyl]benzene
CID 87641751
(2-formyl-5-nitrophenyl) hypobromite
CID 174599532

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethoxy)-2-(4-nitrophenoxy)benzaldehyde?
The IUPAC name of 4-(methoxymethoxy)-2-(4-nitrophenoxy)benzaldehyde (CID 174758219) is 4-(methoxymethoxy)-2-(4-nitrophenoxy)benzaldehyde.
What is the SMILES notation for 4-(methoxymethoxy)-2-(4-nitrophenoxy)benzaldehyde?
The canonical SMILES for 4-(methoxymethoxy)-2-(4-nitrophenoxy)benzaldehyde is COCOc1ccc(C=O)c(Oc2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of 4-(methoxymethoxy)-2-(4-nitrophenoxy)benzaldehyde?
The InChIKey is TUPZJCJXGDMAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO6/c1-20-10-21-14-5-2-11(9-17)15(8-14)22-13-6-3-12(4-7-13)16(18)19/h2-9H,10H2,1H3.
What are the key properties of 4-(methoxymethoxy)-2-(4-nitrophenoxy)benzaldehyde?
4-(methoxymethoxy)-2-(4-nitrophenoxy)benzaldehyde has a molecular weight of 303.27 g/mol, XLogP of 3.18, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethoxy)-2-(4-nitrophenoxy)benzaldehyde is sourced from PubChem (CID 174758219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).