4-[[4-[[4-[(4-hydroxyphenyl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]phenol

C27H22N2O2 — CID 3085874

IUPAC4-[[4-[[4-[(4-hydroxyphenyl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]phenol
SMILESOc1ccc(/C=N/c2ccc(Cc3ccc(/N=C/c4ccc(O)cc4)cc3)cc2)cc1
InChIInChI=1S/C27H22N2O2/c30-26-13-5-22(6-14-26)18-28-24-9-1-20(2-10-24)17-21-3-11-25(12-4-21)29-19-23-7-15-27(31)16-8-23/h1-16,18-19,30-31H,17H2/b28-18+,29-19+
InChIKeyIJCNUYVKXSZHSF-UOSOPFLXSA-N
MW406.49 g/mol
LogP6.19
Rot. Bonds6

About 4-[[4-[[4-[(4-hydroxyphenyl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]phenol

4-[[4-[[4-[(4-hydroxyphenyl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]phenol (PubChem CID 3085874) has the molecular formula C27H22N2O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 4-[[4-[[4-[(4-hydroxyphenyl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name4-[[4-[[4-[(4-hydroxyphenyl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]phenol
PubChem CID3085874
Molecular FormulaC27H22N2O2
Molecular Weight406.49 g/mol
Exact Mass406.17
IUPAC Name4-[[4-[[4-[(4-hydroxyphenyl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]phenol
SMILESOc1ccc(/C=N/c2ccc(Cc3ccc(/N=C/c4ccc(O)cc4)cc3)cc2)cc1
InChIInChI=1S/C27H22N2O2/c30-26-13-5-22(6-14-26)18-28-24-9-1-20(2-10-24)17-21-3-11-25(12-4-21)29-19-23-7-15-27(31)16-8-23/h1-16,18-19,30-31H,17H2/b28-18+,29-19+
InChIKeyIJCNUYVKXSZHSF-UOSOPFLXSA-N
XLogP6.19
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.49
LogP ≤ 56.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[[4-[(4-hydroxyphenyl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]phenol?
The IUPAC name of 4-[[4-[[4-[(4-hydroxyphenyl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]phenol (CID 3085874) is 4-[[4-[[4-[(4-hydroxyphenyl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]phenol.
What is the SMILES notation for 4-[[4-[[4-[(4-hydroxyphenyl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]phenol?
The canonical SMILES for 4-[[4-[[4-[(4-hydroxyphenyl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]phenol is Oc1ccc(/C=N/c2ccc(Cc3ccc(/N=C/c4ccc(O)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-[[4-[[4-[(4-hydroxyphenyl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]phenol?
The InChIKey is IJCNUYVKXSZHSF-UOSOPFLXSA-N. The full InChI is InChI=1S/C27H22N2O2/c30-26-13-5-22(6-14-26)18-28-24-9-1-20(2-10-24)17-21-3-11-25(12-4-21)29-19-23-7-15-27(31)16-8-23/h1-16,18-19,30-31H,17H2/b28-18+,29-19+.
What are the key properties of 4-[[4-[[4-[(4-hydroxyphenyl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]phenol?
4-[[4-[[4-[(4-hydroxyphenyl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]phenol has a molecular weight of 406.49 g/mol, XLogP of 6.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[[4-[(4-hydroxyphenyl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]phenol is sourced from PubChem (CID 3085874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).