4-[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenoxy]benzaldehyde

C22H19NO4 — CID 87106577

IUPAC4-[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenoxy]benzaldehyde
SMILESCO/N=C(\COc1ccc(Oc2ccc(C=O)cc2)cc1)c1ccccc1
InChIInChI=1S/C22H19NO4/c1-25-23-22(18-5-3-2-4-6-18)16-26-19-11-13-21(14-12-19)27-20-9-7-17(15-24)8-10-20/h2-15H,16H2,1H3/b23-22+
InChIKeyZSMFGDZMAHTHFB-GHVJWSGMSA-N
MW361.40 g/mol
LogP4.72
Rot. Bonds8

About 4-[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenoxy]benzaldehyde

4-[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenoxy]benzaldehyde (PubChem CID 87106577) has the molecular formula C22H19NO4 and a molecular weight of 361.40 g/mol. Its IUPAC name is 4-[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenoxy]benzaldehyde.

Molecular Properties

Compound Name4-[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenoxy]benzaldehyde
PubChem CID87106577
Molecular FormulaC22H19NO4
Molecular Weight361.40 g/mol
Exact Mass361.13
IUPAC Name4-[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenoxy]benzaldehyde
SMILESCO/N=C(\COc1ccc(Oc2ccc(C=O)cc2)cc1)c1ccccc1
InChIInChI=1S/C22H19NO4/c1-25-23-22(18-5-3-2-4-6-18)16-26-19-11-13-21(14-12-19)27-20-9-7-17(15-24)8-10-20/h2-15H,16H2,1H3/b23-22+
InChIKeyZSMFGDZMAHTHFB-GHVJWSGMSA-N
XLogP4.72
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-methoxy-2-[4-(phenoxymethyl)phenoxy]-1-phenylethanimine
CID 141330759
4-[[4-[(2Z)-2-hydroxyimino-2-phenylethoxy]phenyl]methoxy]benzaldehyde
CID 88581373
ethyl 3-[4-[[4-(2-methoxyimino-2-phenylethoxy)phenyl]methoxy]phenyl]prop-2-enoate
CID 123759809
2-[[4-[2-methoxyimino-2-(3-methoxyphenyl)ethoxy]phenyl]methylidene]butanoic acid
CID 173494500
methyl 3-[4-[[4-[(2E)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoate
CID 86695725
3-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]-3-phenylpropanoic acid
CID 56639772
3-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]butanoic acid
CID 88581379
3-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methylamino]phenyl]propanoic acid
CID 56639921
4-[(E)-2-(4-formylphenyl)-2-(4-methoxyphenyl)-1-phenylethenyl]benzaldehyde
CID 102406735
benzyl 3-amino-3-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoate
CID 88582976
3-[2-fluoro-4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoic acid
CID 56640142
(3Z)-3-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]-3-[(3E)-penta-1,3-dien-3-yl]oxyiminopropanoic acid
CID 88581465

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenoxy]benzaldehyde?
The IUPAC name of 4-[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenoxy]benzaldehyde (CID 87106577) is 4-[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenoxy]benzaldehyde.
What is the SMILES notation for 4-[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenoxy]benzaldehyde?
The canonical SMILES for 4-[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenoxy]benzaldehyde is CO/N=C(\COc1ccc(Oc2ccc(C=O)cc2)cc1)c1ccccc1.
What is the InChIKey of 4-[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenoxy]benzaldehyde?
The InChIKey is ZSMFGDZMAHTHFB-GHVJWSGMSA-N. The full InChI is InChI=1S/C22H19NO4/c1-25-23-22(18-5-3-2-4-6-18)16-26-19-11-13-21(14-12-19)27-20-9-7-17(15-24)8-10-20/h2-15H,16H2,1H3/b23-22+.
What are the key properties of 4-[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenoxy]benzaldehyde?
4-[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenoxy]benzaldehyde has a molecular weight of 361.40 g/mol, XLogP of 4.72, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenoxy]benzaldehyde is sourced from PubChem (CID 87106577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).