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

C24H23NO5 — CID 123326670

IUPAC2-methoxy-4-[[4-[2-(methoxyamino)-2-phenylethenoxy]phenyl]methoxy]benzaldehyde
SMILESCONC(=COc1ccc(COc2ccc(C=O)c(OC)c2)cc1)c1ccccc1
InChIInChI=1S/C24H23NO5/c1-27-24-14-22(13-10-20(24)15-26)29-16-18-8-11-21(12-9-18)30-17-23(25-28-2)19-6-4-3-5-7-19/h3-15,17,25H,16H2,1-2H3
InChIKeyROUDMJFIAXXTOY-UHFFFAOYSA-N
MW405.45 g/mol
LogP4.62
Rot. Bonds10

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

2-methoxy-4-[[4-[2-(methoxyamino)-2-phenylethenoxy]phenyl]methoxy]benzaldehyde (PubChem CID 123326670) has the molecular formula C24H23NO5 and a molecular weight of 405.45 g/mol. Its IUPAC name is 2-methoxy-4-[[4-[2-(methoxyamino)-2-phenylethenoxy]phenyl]methoxy]benzaldehyde.

Molecular Properties

Compound Name2-methoxy-4-[[4-[2-(methoxyamino)-2-phenylethenoxy]phenyl]methoxy]benzaldehyde
PubChem CID123326670
Molecular FormulaC24H23NO5
Molecular Weight405.45 g/mol
Exact Mass405.16
IUPAC Name2-methoxy-4-[[4-[2-(methoxyamino)-2-phenylethenoxy]phenyl]methoxy]benzaldehyde
SMILESCONC(=COc1ccc(COc2ccc(C=O)c(OC)c2)cc1)c1ccccc1
InChIInChI=1S/C24H23NO5/c1-27-24-14-22(13-10-20(24)15-26)29-16-18-8-11-21(12-9-18)30-17-23(25-28-2)19-6-4-3-5-7-19/h3-15,17,25H,16H2,1-2H3
InChIKeyROUDMJFIAXXTOY-UHFFFAOYSA-N
XLogP4.62
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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]benzaldehyde
CID 123442241
[4-[[4-[2-(methoxyamino)-2-phenylethenoxy]phenyl]methoxy]phenyl]methanol
CID 123713714
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
3-[2-fluoro-4-[[3-methoxy-4-[2-(methoxyamino)-2-phenylethenoxy]phenyl]methoxy]phenyl]propanoic acid
CID 123472115
methyl 4-[4-[[4-[2-(methoxyamino)-2-phenylethenoxy]phenyl]methoxy]phenyl]-5-methyl-1,2-oxazole-3-carboxylate
CID 123154378
2-(3-methylbut-2-enoxy)-4-phenylmethoxybenzaldehyde
CID 56605246
ethyl (Z)-2-formamido-3-(2-methoxy-4-phenylmethoxyphenyl)prop-2-enoate
CID 5368608
2-methoxy-4,6-bis(phenylmethoxy)benzaldehyde
CID 10980954
2-bromo-4-phenylmethoxybenzaldehyde
CID 11173819
2-chloro-4-[(4-methoxyphenyl)methoxy]benzaldehyde
CID 89247022
2-hydroxy-6-methoxy-4-phenylmethoxybenzaldehyde
CID 90458250

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[[4-[2-(methoxyamino)-2-phenylethenoxy]phenyl]methoxy]benzaldehyde?
The IUPAC name of 2-methoxy-4-[[4-[2-(methoxyamino)-2-phenylethenoxy]phenyl]methoxy]benzaldehyde (CID 123326670) is 2-methoxy-4-[[4-[2-(methoxyamino)-2-phenylethenoxy]phenyl]methoxy]benzaldehyde.
What is the SMILES notation for 2-methoxy-4-[[4-[2-(methoxyamino)-2-phenylethenoxy]phenyl]methoxy]benzaldehyde?
The canonical SMILES for 2-methoxy-4-[[4-[2-(methoxyamino)-2-phenylethenoxy]phenyl]methoxy]benzaldehyde is CONC(=COc1ccc(COc2ccc(C=O)c(OC)c2)cc1)c1ccccc1.
What is the InChIKey of 2-methoxy-4-[[4-[2-(methoxyamino)-2-phenylethenoxy]phenyl]methoxy]benzaldehyde?
The InChIKey is ROUDMJFIAXXTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO5/c1-27-24-14-22(13-10-20(24)15-26)29-16-18-8-11-21(12-9-18)30-17-23(25-28-2)19-6-4-3-5-7-19/h3-15,17,25H,16H2,1-2H3.
What are the key properties of 2-methoxy-4-[[4-[2-(methoxyamino)-2-phenylethenoxy]phenyl]methoxy]benzaldehyde?
2-methoxy-4-[[4-[2-(methoxyamino)-2-phenylethenoxy]phenyl]methoxy]benzaldehyde has a molecular weight of 405.45 g/mol, XLogP of 4.62, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[[4-[2-(methoxyamino)-2-phenylethenoxy]phenyl]methoxy]benzaldehyde is sourced from PubChem (CID 123326670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).