2-[[4-[3-[4-[(2-hydroxyphenyl)methylideneamino]phenoxy]propoxy]phenyl]iminomethyl]phenol

C29H26N2O4 — CID 2725546

IUPAC2-[[4-[3-[4-[(2-hydroxyphenyl)methylideneamino]phenoxy]propoxy]phenyl]iminomethyl]phenol
SMILESOc1ccccc1/C=N/c1ccc(OCCCOc2ccc(/N=C/c3ccccc3O)cc2)cc1
InChIInChI=1S/C29H26N2O4/c32-28-8-3-1-6-22(28)20-30-24-10-14-26(15-11-24)34-18-5-19-35-27-16-12-25(13-17-27)31-21-23-7-2-4-9-29(23)33/h1-4,6-17,20-21,32-33H,5,18-19H2/b30-20+,31-21+
InChIKeyQYDDXRKXVXACBV-OQIGUVFWSA-N
MW466.54 g/mol
LogP6.45
Rot. Bonds10

About 2-[[4-[3-[4-[(2-hydroxyphenyl)methylideneamino]phenoxy]propoxy]phenyl]iminomethyl]phenol

2-[[4-[3-[4-[(2-hydroxyphenyl)methylideneamino]phenoxy]propoxy]phenyl]iminomethyl]phenol (PubChem CID 2725546) has the molecular formula C29H26N2O4 and a molecular weight of 466.54 g/mol. Its IUPAC name is 2-[[4-[3-[4-[(2-hydroxyphenyl)methylideneamino]phenoxy]propoxy]phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name2-[[4-[3-[4-[(2-hydroxyphenyl)methylideneamino]phenoxy]propoxy]phenyl]iminomethyl]phenol
PubChem CID2725546
Molecular FormulaC29H26N2O4
Molecular Weight466.54 g/mol
Exact Mass466.19
IUPAC Name2-[[4-[3-[4-[(2-hydroxyphenyl)methylideneamino]phenoxy]propoxy]phenyl]iminomethyl]phenol
SMILESOc1ccccc1/C=N/c1ccc(OCCCOc2ccc(/N=C/c3ccccc3O)cc2)cc1
InChIInChI=1S/C29H26N2O4/c32-28-8-3-1-6-22(28)20-30-24-10-14-26(15-11-24)34-18-5-19-35-27-16-12-25(13-17-27)31-21-23-7-2-4-9-29(23)33/h1-4,6-17,20-21,32-33H,5,18-19H2/b30-20+,31-21+
InChIKeyQYDDXRKXVXACBV-OQIGUVFWSA-N
XLogP6.45
TPSA83.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.54
LogP ≤ 56.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[3-[4-[(2-hydroxyphenyl)methylideneamino]phenoxy]propoxy]phenyl]iminomethyl]phenol?
The IUPAC name of 2-[[4-[3-[4-[(2-hydroxyphenyl)methylideneamino]phenoxy]propoxy]phenyl]iminomethyl]phenol (CID 2725546) is 2-[[4-[3-[4-[(2-hydroxyphenyl)methylideneamino]phenoxy]propoxy]phenyl]iminomethyl]phenol.
What is the SMILES notation for 2-[[4-[3-[4-[(2-hydroxyphenyl)methylideneamino]phenoxy]propoxy]phenyl]iminomethyl]phenol?
The canonical SMILES for 2-[[4-[3-[4-[(2-hydroxyphenyl)methylideneamino]phenoxy]propoxy]phenyl]iminomethyl]phenol is Oc1ccccc1/C=N/c1ccc(OCCCOc2ccc(/N=C/c3ccccc3O)cc2)cc1.
What is the InChIKey of 2-[[4-[3-[4-[(2-hydroxyphenyl)methylideneamino]phenoxy]propoxy]phenyl]iminomethyl]phenol?
The InChIKey is QYDDXRKXVXACBV-OQIGUVFWSA-N. The full InChI is InChI=1S/C29H26N2O4/c32-28-8-3-1-6-22(28)20-30-24-10-14-26(15-11-24)34-18-5-19-35-27-16-12-25(13-17-27)31-21-23-7-2-4-9-29(23)33/h1-4,6-17,20-21,32-33H,5,18-19H2/b30-20+,31-21+.
What are the key properties of 2-[[4-[3-[4-[(2-hydroxyphenyl)methylideneamino]phenoxy]propoxy]phenyl]iminomethyl]phenol?
2-[[4-[3-[4-[(2-hydroxyphenyl)methylideneamino]phenoxy]propoxy]phenyl]iminomethyl]phenol has a molecular weight of 466.54 g/mol, XLogP of 6.45, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[3-[4-[(2-hydroxyphenyl)methylideneamino]phenoxy]propoxy]phenyl]iminomethyl]phenol is sourced from PubChem (CID 2725546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).