4-[[4-[2-(methoxyamino)-2-phenylethenoxy]phenyl]methoxy]benzaldehyde

C23H21NO4 — CID 123442241

IUPAC4-[[4-[2-(methoxyamino)-2-phenylethenoxy]phenyl]methoxy]benzaldehyde
SMILESCONC(=COc1ccc(COc2ccc(C=O)cc2)cc1)c1ccccc1
InChIInChI=1S/C23H21NO4/c1-26-24-23(20-5-3-2-4-6-20)17-28-22-13-9-19(10-14-22)16-27-21-11-7-18(15-25)8-12-21/h2-15,17,24H,16H2,1H3
InChIKeyPNAKHCCUIUXKDA-UHFFFAOYSA-N
MW375.42 g/mol
LogP4.61
Rot. Bonds9

About 4-[[4-[2-(methoxyamino)-2-phenylethenoxy]phenyl]methoxy]benzaldehyde

4-[[4-[2-(methoxyamino)-2-phenylethenoxy]phenyl]methoxy]benzaldehyde (PubChem CID 123442241) has the molecular formula C23H21NO4 and a molecular weight of 375.42 g/mol. Its IUPAC name is 4-[[4-[2-(methoxyamino)-2-phenylethenoxy]phenyl]methoxy]benzaldehyde.

Molecular Properties

Compound Name4-[[4-[2-(methoxyamino)-2-phenylethenoxy]phenyl]methoxy]benzaldehyde
PubChem CID123442241
Molecular FormulaC23H21NO4
Molecular Weight375.42 g/mol
Exact Mass375.15
IUPAC Name4-[[4-[2-(methoxyamino)-2-phenylethenoxy]phenyl]methoxy]benzaldehyde
SMILESCONC(=COc1ccc(COc2ccc(C=O)cc2)cc1)c1ccccc1
InChIInChI=1S/C23H21NO4/c1-26-24-23(20-5-3-2-4-6-20)17-28-22-13-9-19(10-14-22)16-27-21-11-7-18(15-25)8-12-21/h2-15,17,24H,16H2,1H3
InChIKeyPNAKHCCUIUXKDA-UHFFFAOYSA-N
XLogP4.61
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-[[4-[2-(methoxyamino)-2-phenylethenoxy]phenyl]methoxy]phenyl]methanol
CID 123713714
2-methoxy-4-[[4-[2-(methoxyamino)-2-phenylethenoxy]phenyl]methoxy]benzaldehyde
CID 123326670
methyl 2,3-dihydroxy-3-[4-[[4-[2-(methoxyamino)-2-phenylethenoxy]phenyl]methoxy]phenyl]propanoate
CID 123693725
ethyl 3-[4-[[4-[2-(methoxyamino)-2-phenylethenoxy]phenyl]methoxy]phenyl]-2-methyl-3-phenylpropanoate
CID 123934431
methyl 4-[4-[[4-[2-(methoxyamino)-2-phenylethenoxy]phenyl]methoxy]phenyl]-5-methyl-1,2-oxazole-3-carboxylate
CID 123154378
4-[[4-[(2Z)-2-hydroxyimino-2-phenylethoxy]phenyl]methoxy]benzaldehyde
CID 88581373
3-[(4-formylphenoxy)methyl]benzohydrazide
CID 63571221
3-[2-fluoro-4-[[3-methoxy-4-[2-(methoxyamino)-2-phenylethenoxy]phenyl]methoxy]phenyl]propanoic acid
CID 123472115
4-[[4-(2-methylpropanoyl)phenyl]methoxy]benzaldehyde
CID 87614640
propyl 4-[(4-formylphenoxy)methyl]benzoate
CID 23411167
4-[(4-iodophenyl)methoxy]benzaldehyde
CID 882484
methyl 4-[[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenoxy]methyl]benzoate
CID 7946008

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[2-(methoxyamino)-2-phenylethenoxy]phenyl]methoxy]benzaldehyde?
The IUPAC name of 4-[[4-[2-(methoxyamino)-2-phenylethenoxy]phenyl]methoxy]benzaldehyde (CID 123442241) is 4-[[4-[2-(methoxyamino)-2-phenylethenoxy]phenyl]methoxy]benzaldehyde.
What is the SMILES notation for 4-[[4-[2-(methoxyamino)-2-phenylethenoxy]phenyl]methoxy]benzaldehyde?
The canonical SMILES for 4-[[4-[2-(methoxyamino)-2-phenylethenoxy]phenyl]methoxy]benzaldehyde is CONC(=COc1ccc(COc2ccc(C=O)cc2)cc1)c1ccccc1.
What is the InChIKey of 4-[[4-[2-(methoxyamino)-2-phenylethenoxy]phenyl]methoxy]benzaldehyde?
The InChIKey is PNAKHCCUIUXKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO4/c1-26-24-23(20-5-3-2-4-6-20)17-28-22-13-9-19(10-14-22)16-27-21-11-7-18(15-25)8-12-21/h2-15,17,24H,16H2,1H3.
What are the key properties of 4-[[4-[2-(methoxyamino)-2-phenylethenoxy]phenyl]methoxy]benzaldehyde?
4-[[4-[2-(methoxyamino)-2-phenylethenoxy]phenyl]methoxy]benzaldehyde has a molecular weight of 375.42 g/mol, XLogP of 4.61, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[2-(methoxyamino)-2-phenylethenoxy]phenyl]methoxy]benzaldehyde is sourced from PubChem (CID 123442241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).