4-[[4-[(2Z)-2-hydroxyimino-2-phenylethoxy]phenyl]methoxy]benzaldehyde

C22H19NO4 — CID 88581373

IUPAC4-[[4-[(2Z)-2-hydroxyimino-2-phenylethoxy]phenyl]methoxy]benzaldehyde
SMILESO=Cc1ccc(OCc2ccc(OC/C(=N\O)c3ccccc3)cc2)cc1
InChIInChI=1S/C22H19NO4/c24-14-17-6-10-20(11-7-17)26-15-18-8-12-21(13-9-18)27-16-22(23-25)19-4-2-1-3-5-19/h1-14,25H,15-16H2/b23-22+
InChIKeyMOTGQLWNYWOBCW-GHVJWSGMSA-N
MW361.40 g/mol
LogP4.34
Rot. Bonds8

About 4-[[4-[(2Z)-2-hydroxyimino-2-phenylethoxy]phenyl]methoxy]benzaldehyde

4-[[4-[(2Z)-2-hydroxyimino-2-phenylethoxy]phenyl]methoxy]benzaldehyde (PubChem CID 88581373) has the molecular formula C22H19NO4 and a molecular weight of 361.40 g/mol. Its IUPAC name is 4-[[4-[(2Z)-2-hydroxyimino-2-phenylethoxy]phenyl]methoxy]benzaldehyde.

Molecular Properties

Compound Name4-[[4-[(2Z)-2-hydroxyimino-2-phenylethoxy]phenyl]methoxy]benzaldehyde
PubChem CID88581373
Molecular FormulaC22H19NO4
Molecular Weight361.40 g/mol
Exact Mass361.13
IUPAC Name4-[[4-[(2Z)-2-hydroxyimino-2-phenylethoxy]phenyl]methoxy]benzaldehyde
SMILESO=Cc1ccc(OCc2ccc(OC/C(=N\O)c3ccccc3)cc2)cc1
InChIInChI=1S/C22H19NO4/c24-14-17-6-10-20(11-7-17)26-15-18-8-12-21(13-9-18)27-16-22(23-25)19-4-2-1-3-5-19/h1-14,25H,15-16H2/b23-22+
InChIKeyMOTGQLWNYWOBCW-GHVJWSGMSA-N
XLogP4.34
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenoxy]benzaldehyde
CID 87106577
(Z)-N-methoxy-2-[4-(phenoxymethyl)phenoxy]-1-phenylethanimine
CID 141330759
(NE)-N-[2-(4-fluorophenoxy)-1-phenylethylidene]hydroxylamine
CID 71595074
4-[[3-[(4-formylphenoxy)methyl]phenyl]methoxy]benzaldehyde
CID 19038438
4-[(4-nitrosophenyl)methoxy]benzaldehyde
CID 88889564
4-[[4-[2-(methoxyamino)-2-phenylethenoxy]phenyl]methoxy]benzaldehyde
CID 123442241
4-[(4-iodophenyl)methoxy]benzaldehyde
CID 882484
ethyl 3-[4-[[4-(2-methoxyimino-2-phenylethoxy)phenyl]methoxy]phenyl]prop-2-enoate
CID 123759809
4-[[4-(2-methylpropanoyl)phenyl]methoxy]benzaldehyde
CID 87614640
acetaldehyde;4-[(4-fluorophenyl)methoxy]benzaldehyde
CID 175354116
(2Z,3Z)-2,3-bis[(4-phenylmethoxyphenyl)methylidene]butanedial
CID 11248500
(NZ)-N-(1-phenyl-2-pyridin-3-yloxyethylidene)hydroxylamine
CID 87382498

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(2Z)-2-hydroxyimino-2-phenylethoxy]phenyl]methoxy]benzaldehyde?
The IUPAC name of 4-[[4-[(2Z)-2-hydroxyimino-2-phenylethoxy]phenyl]methoxy]benzaldehyde (CID 88581373) is 4-[[4-[(2Z)-2-hydroxyimino-2-phenylethoxy]phenyl]methoxy]benzaldehyde.
What is the SMILES notation for 4-[[4-[(2Z)-2-hydroxyimino-2-phenylethoxy]phenyl]methoxy]benzaldehyde?
The canonical SMILES for 4-[[4-[(2Z)-2-hydroxyimino-2-phenylethoxy]phenyl]methoxy]benzaldehyde is O=Cc1ccc(OCc2ccc(OC/C(=N\O)c3ccccc3)cc2)cc1.
What is the InChIKey of 4-[[4-[(2Z)-2-hydroxyimino-2-phenylethoxy]phenyl]methoxy]benzaldehyde?
The InChIKey is MOTGQLWNYWOBCW-GHVJWSGMSA-N. The full InChI is InChI=1S/C22H19NO4/c24-14-17-6-10-20(11-7-17)26-15-18-8-12-21(13-9-18)27-16-22(23-25)19-4-2-1-3-5-19/h1-14,25H,15-16H2/b23-22+.
What are the key properties of 4-[[4-[(2Z)-2-hydroxyimino-2-phenylethoxy]phenyl]methoxy]benzaldehyde?
4-[[4-[(2Z)-2-hydroxyimino-2-phenylethoxy]phenyl]methoxy]benzaldehyde has a molecular weight of 361.40 g/mol, XLogP of 4.34, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(2Z)-2-hydroxyimino-2-phenylethoxy]phenyl]methoxy]benzaldehyde is sourced from PubChem (CID 88581373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).