[4-[(E)-hydroxyiminomethyl]phenyl] 4-ethoxybenzoate

C16H15NO4 — CID 177398517

IUPAC[4-[(E)-hydroxyiminomethyl]phenyl] 4-ethoxybenzoate
SMILESCCOc1ccc(C(=O)Oc2ccc(/C=N/O)cc2)cc1
InChIInChI=1S/C16H15NO4/c1-2-20-14-9-5-13(6-10-14)16(18)21-15-7-3-12(4-8-15)11-17-19/h3-11,19H,2H2,1H3/b17-11+
InChIKeyYAVPHTBCAOOMIF-GZTJUZNOSA-N
MW285.30 g/mol
LogP3.11
Rot. Bonds5

About [4-[(E)-hydroxyiminomethyl]phenyl] 4-ethoxybenzoate

[4-[(E)-hydroxyiminomethyl]phenyl] 4-ethoxybenzoate (PubChem CID 177398517) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is [4-[(E)-hydroxyiminomethyl]phenyl] 4-ethoxybenzoate.

Molecular Properties

Compound Name[4-[(E)-hydroxyiminomethyl]phenyl] 4-ethoxybenzoate
PubChem CID177398517
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name[4-[(E)-hydroxyiminomethyl]phenyl] 4-ethoxybenzoate
SMILESCCOc1ccc(C(=O)Oc2ccc(/C=N/O)cc2)cc1
InChIInChI=1S/C16H15NO4/c1-2-20-14-9-5-13(6-10-14)16(18)21-15-7-3-12(4-8-15)11-17-19/h3-11,19H,2H2,1H3/b17-11+
InChIKeyYAVPHTBCAOOMIF-GZTJUZNOSA-N
XLogP3.11
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 53.11
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-[4-[[4-(4-ethoxybenzoyl)oxyphenyl]methylideneamino]butyliminomethyl]phenyl] 4-ethoxybenzoate
CID 101016570
[4-[(Z)-hydroxyiminomethyl]phenyl] 4-methoxybenzoate
CID 5415416
[4-[(carbamoylhydrazinylidene)methyl]phenyl] 4-ethoxybenzoate
CID 3742555
[4-(hydroxyiminomethyl)phenyl] benzoate
CID 880956
[4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 4-ethoxybenzoate
CID 6241876
(4-methoxyphenyl) 4-ethoxybenzoate
CID 23011327
(4-ethoxyphenyl) 4-carboxyoxybenzoate
CID 68508169
[4-[[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-ethoxybenzoate
CID 3809444
[4-(hydroxyiminomethyl)phenyl] 4-nitrobenzoate
CID 23822226
[4-(4-methoxycarbonyloxybenzoyl)oxyphenyl] 4-ethoxybenzoate
CID 58003994
(4-propan-2-yloxycarbonylphenyl) 4-ethoxybenzoate
CID 17160880
(4-ethoxyphenyl) 4-methoxycarbonyloxybenzoate
CID 14534505

Frequently Asked Questions

What is the IUPAC name of [4-[(E)-hydroxyiminomethyl]phenyl] 4-ethoxybenzoate?
The IUPAC name of [4-[(E)-hydroxyiminomethyl]phenyl] 4-ethoxybenzoate (CID 177398517) is [4-[(E)-hydroxyiminomethyl]phenyl] 4-ethoxybenzoate.
What is the SMILES notation for [4-[(E)-hydroxyiminomethyl]phenyl] 4-ethoxybenzoate?
The canonical SMILES for [4-[(E)-hydroxyiminomethyl]phenyl] 4-ethoxybenzoate is CCOc1ccc(C(=O)Oc2ccc(/C=N/O)cc2)cc1.
What is the InChIKey of [4-[(E)-hydroxyiminomethyl]phenyl] 4-ethoxybenzoate?
The InChIKey is YAVPHTBCAOOMIF-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H15NO4/c1-2-20-14-9-5-13(6-10-14)16(18)21-15-7-3-12(4-8-15)11-17-19/h3-11,19H,2H2,1H3/b17-11+.
What are the key properties of [4-[(E)-hydroxyiminomethyl]phenyl] 4-ethoxybenzoate?
[4-[(E)-hydroxyiminomethyl]phenyl] 4-ethoxybenzoate has a molecular weight of 285.30 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-hydroxyiminomethyl]phenyl] 4-ethoxybenzoate is sourced from PubChem (CID 177398517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).