[4-[(Z)-hydroxyiminomethyl]phenyl] 4-methoxybenzoate

C15H13NO4 — CID 5415416

IUPAC[4-[(Z)-hydroxyiminomethyl]phenyl] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)Oc2ccc(/C=N\O)cc2)cc1
InChIInChI=1S/C15H13NO4/c1-19-13-8-4-12(5-9-13)15(17)20-14-6-2-11(3-7-14)10-16-18/h2-10,18H,1H3/b16-10-
InChIKeyUHHJKERSXUMNII-YBEGLDIGSA-N
MW271.27 g/mol
LogP2.72
Rot. Bonds4

About [4-[(Z)-hydroxyiminomethyl]phenyl] 4-methoxybenzoate

[4-[(Z)-hydroxyiminomethyl]phenyl] 4-methoxybenzoate (PubChem CID 5415416) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is [4-[(Z)-hydroxyiminomethyl]phenyl] 4-methoxybenzoate.

Molecular Properties

Compound Name[4-[(Z)-hydroxyiminomethyl]phenyl] 4-methoxybenzoate
PubChem CID5415416
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name[4-[(Z)-hydroxyiminomethyl]phenyl] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)Oc2ccc(/C=N\O)cc2)cc1
InChIInChI=1S/C15H13NO4/c1-19-13-8-4-12(5-9-13)15(17)20-14-6-2-11(3-7-14)10-16-18/h2-10,18H,1H3/b16-10-
InChIKeyUHHJKERSXUMNII-YBEGLDIGSA-N
XLogP2.72
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-methoxyphenyl) 4-[(4-methoxyphenyl)methylideneamino]benzoate
CID 102302326
[4-(hydroxyiminomethyl)phenyl] benzoate
CID 880956
[4-[(E)-hydroxyiminomethyl]phenyl] 4-ethoxybenzoate
CID 177398517
(4-methoxyphenyl) 4-[(4-methylphenyl)methylideneamino]benzoate
CID 102302331
[4-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate
CID 5416155
[4-[(E)-[(4-methoxyphenyl)hydrazinylidene]methyl]phenyl] 4-fluorobenzoate
CID 110509030
[4-(hydroxyiminomethyl)phenyl] 4-nitrobenzoate
CID 23822226
[4-[(4-methoxyphenyl)methylideneamino]phenyl] 4-tert-butylbenzoate
CID 101016503
[4-[(E)-[[2-(4-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 51060821
(4-methoxyphenyl) 4-[[4-(dimethylamino)phenyl]iminomethyl]benzoate
CID 102305273
[4-[(Z)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 6114136
(4-methoxyphenyl) 4-hydroxybenzoate
CID 578384

Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-hydroxyiminomethyl]phenyl] 4-methoxybenzoate?
The IUPAC name of [4-[(Z)-hydroxyiminomethyl]phenyl] 4-methoxybenzoate (CID 5415416) is [4-[(Z)-hydroxyiminomethyl]phenyl] 4-methoxybenzoate.
What is the SMILES notation for [4-[(Z)-hydroxyiminomethyl]phenyl] 4-methoxybenzoate?
The canonical SMILES for [4-[(Z)-hydroxyiminomethyl]phenyl] 4-methoxybenzoate is COc1ccc(C(=O)Oc2ccc(/C=N\O)cc2)cc1.
What is the InChIKey of [4-[(Z)-hydroxyiminomethyl]phenyl] 4-methoxybenzoate?
The InChIKey is UHHJKERSXUMNII-YBEGLDIGSA-N. The full InChI is InChI=1S/C15H13NO4/c1-19-13-8-4-12(5-9-13)15(17)20-14-6-2-11(3-7-14)10-16-18/h2-10,18H,1H3/b16-10-.
What are the key properties of [4-[(Z)-hydroxyiminomethyl]phenyl] 4-methoxybenzoate?
[4-[(Z)-hydroxyiminomethyl]phenyl] 4-methoxybenzoate has a molecular weight of 271.27 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(Z)-hydroxyiminomethyl]phenyl] 4-methoxybenzoate is sourced from PubChem (CID 5415416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).