[4-[(4-hydroxyphenyl)iminomethyl]phenyl] 4-hydroxybenzoate

C20H15NO4 — CID 102453857

IUPAC[4-[(4-hydroxyphenyl)iminomethyl]phenyl] 4-hydroxybenzoate
SMILESO=C(Oc1ccc(/C=N/c2ccc(O)cc2)cc1)c1ccc(O)cc1
InChIInChI=1S/C20H15NO4/c22-17-7-3-15(4-8-17)20(24)25-19-11-1-14(2-12-19)13-21-16-5-9-18(23)10-6-16/h1-13,22-23H/b21-13+
InChIKeyHPLZEQWEMMBTMJ-FYJGNVAPSA-N
MW333.34 g/mol
LogP4.07
Rot. Bonds4

About [4-[(4-hydroxyphenyl)iminomethyl]phenyl] 4-hydroxybenzoate

[4-[(4-hydroxyphenyl)iminomethyl]phenyl] 4-hydroxybenzoate (PubChem CID 102453857) has the molecular formula C20H15NO4 and a molecular weight of 333.34 g/mol. Its IUPAC name is [4-[(4-hydroxyphenyl)iminomethyl]phenyl] 4-hydroxybenzoate.

Molecular Properties

Compound Name[4-[(4-hydroxyphenyl)iminomethyl]phenyl] 4-hydroxybenzoate
PubChem CID102453857
Molecular FormulaC20H15NO4
Molecular Weight333.34 g/mol
Exact Mass333.10
IUPAC Name[4-[(4-hydroxyphenyl)iminomethyl]phenyl] 4-hydroxybenzoate
SMILESO=C(Oc1ccc(/C=N/c2ccc(O)cc2)cc1)c1ccc(O)cc1
InChIInChI=1S/C20H15NO4/c22-17-7-3-15(4-8-17)20(24)25-19-11-1-14(2-12-19)13-21-16-5-9-18(23)10-6-16/h1-13,22-23H/b21-13+
InChIKeyHPLZEQWEMMBTMJ-FYJGNVAPSA-N
XLogP4.07
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-methoxyphenyl) 4-[(4-methylphenyl)methylideneamino]benzoate
CID 102302331
bis[4-[(4-hydroxyphenyl)iminomethyl]phenyl] propanedioate
CID 171770387
[4-[(4-methylphenyl)iminomethyl]phenyl] 4-bromobenzoate
CID 102305242
[4-[(4-chlorophenyl)iminomethyl]phenyl] benzoate
CID 691027
[4-[(4-methoxyphenyl)methylideneamino]phenyl] 4-tert-butylbenzoate
CID 101016503
4-[(4-hydroxyphenyl)methylideneamino]benzoic acid
CID 2306645
[4-[(4-methylphenyl)iminomethyl]phenyl] 4-(dimethylamino)benzoate
CID 102305243
[4-[[4-(10-hydroxydecoxy)phenyl]iminomethyl]phenyl] 4-[[4-(10-hydroxydecoxy)phenyl]iminomethyl]benzoate
CID 101122145
(4-methoxyphenyl) 4-[[4-(dimethylamino)phenyl]iminomethyl]benzoate
CID 102305273
[4-[4-[[4-[4-(4-hexadecoxybenzoyl)oxybenzoyl]oxyphenyl]iminomethyl]phenoxy]carbonylphenyl] 4-hexadecoxybenzoate
CID 122226106
[4-[(4-fluorophenyl)iminomethyl]phenyl] 4-cyanobenzoate
CID 102305247

Frequently Asked Questions

What is the IUPAC name of [4-[(4-hydroxyphenyl)iminomethyl]phenyl] 4-hydroxybenzoate?
The IUPAC name of [4-[(4-hydroxyphenyl)iminomethyl]phenyl] 4-hydroxybenzoate (CID 102453857) is [4-[(4-hydroxyphenyl)iminomethyl]phenyl] 4-hydroxybenzoate.
What is the SMILES notation for [4-[(4-hydroxyphenyl)iminomethyl]phenyl] 4-hydroxybenzoate?
The canonical SMILES for [4-[(4-hydroxyphenyl)iminomethyl]phenyl] 4-hydroxybenzoate is O=C(Oc1ccc(/C=N/c2ccc(O)cc2)cc1)c1ccc(O)cc1.
What is the InChIKey of [4-[(4-hydroxyphenyl)iminomethyl]phenyl] 4-hydroxybenzoate?
The InChIKey is HPLZEQWEMMBTMJ-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H15NO4/c22-17-7-3-15(4-8-17)20(24)25-19-11-1-14(2-12-19)13-21-16-5-9-18(23)10-6-16/h1-13,22-23H/b21-13+.
What are the key properties of [4-[(4-hydroxyphenyl)iminomethyl]phenyl] 4-hydroxybenzoate?
[4-[(4-hydroxyphenyl)iminomethyl]phenyl] 4-hydroxybenzoate has a molecular weight of 333.34 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-hydroxyphenyl)iminomethyl]phenyl] 4-hydroxybenzoate is sourced from PubChem (CID 102453857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).