2-[N-[4-[3-[1-(2-hydroxyphenyl)ethylideneamino]phenoxy]phenyl]-C-methylcarbonimidoyl]phenol

C28H24N2O3 — CID 139069501

IUPAC2-[N-[4-[3-[1-(2-hydroxyphenyl)ethylideneamino]phenoxy]phenyl]-C-methylcarbonimidoyl]phenol
SMILESC/C(=N\c1ccc(Oc2cccc(/N=C(\C)c3ccccc3O)c2)cc1)c1ccccc1O
InChIInChI=1S/C28H24N2O3/c1-19(25-10-3-5-12-27(25)31)29-21-14-16-23(17-15-21)33-24-9-7-8-22(18-24)30-20(2)26-11-4-6-13-28(26)32/h3-18,31-32H,1-2H3/b29-19+,30-20+
InChIKeyVTSVFRLQWFIFEI-CZYCKNNWSA-N
MW436.51 g/mol
LogP7.17
Rot. Bonds6

About 2-[N-[4-[3-[1-(2-hydroxyphenyl)ethylideneamino]phenoxy]phenyl]-C-methylcarbonimidoyl]phenol

2-[N-[4-[3-[1-(2-hydroxyphenyl)ethylideneamino]phenoxy]phenyl]-C-methylcarbonimidoyl]phenol (PubChem CID 139069501) has the molecular formula C28H24N2O3 and a molecular weight of 436.51 g/mol. Its IUPAC name is 2-[N-[4-[3-[1-(2-hydroxyphenyl)ethylideneamino]phenoxy]phenyl]-C-methylcarbonimidoyl]phenol.

Molecular Properties

Compound Name2-[N-[4-[3-[1-(2-hydroxyphenyl)ethylideneamino]phenoxy]phenyl]-C-methylcarbonimidoyl]phenol
PubChem CID139069501
Molecular FormulaC28H24N2O3
Molecular Weight436.51 g/mol
Exact Mass436.18
IUPAC Name2-[N-[4-[3-[1-(2-hydroxyphenyl)ethylideneamino]phenoxy]phenyl]-C-methylcarbonimidoyl]phenol
SMILESC/C(=N\c1ccc(Oc2cccc(/N=C(\C)c3ccccc3O)c2)cc1)c1ccccc1O
InChIInChI=1S/C28H24N2O3/c1-19(25-10-3-5-12-27(25)31)29-21-14-16-23(17-15-21)33-24-9-7-8-22(18-24)30-20(2)26-11-4-6-13-28(26)32/h3-18,31-32H,1-2H3/b29-19+,30-20+
InChIKeyVTSVFRLQWFIFEI-CZYCKNNWSA-N
XLogP7.17
TPSA74.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.51
LogP ≤ 57.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 2-[N-[4-[3-[1-(2-hydroxyphenyl)ethylideneamino]phenoxy]phenyl]-C-methylcarbonimidoyl]phenol?
The IUPAC name of 2-[N-[4-[3-[1-(2-hydroxyphenyl)ethylideneamino]phenoxy]phenyl]-C-methylcarbonimidoyl]phenol (CID 139069501) is 2-[N-[4-[3-[1-(2-hydroxyphenyl)ethylideneamino]phenoxy]phenyl]-C-methylcarbonimidoyl]phenol.
What is the SMILES notation for 2-[N-[4-[3-[1-(2-hydroxyphenyl)ethylideneamino]phenoxy]phenyl]-C-methylcarbonimidoyl]phenol?
The canonical SMILES for 2-[N-[4-[3-[1-(2-hydroxyphenyl)ethylideneamino]phenoxy]phenyl]-C-methylcarbonimidoyl]phenol is C/C(=N\c1ccc(Oc2cccc(/N=C(\C)c3ccccc3O)c2)cc1)c1ccccc1O.
What is the InChIKey of 2-[N-[4-[3-[1-(2-hydroxyphenyl)ethylideneamino]phenoxy]phenyl]-C-methylcarbonimidoyl]phenol?
The InChIKey is VTSVFRLQWFIFEI-CZYCKNNWSA-N. The full InChI is InChI=1S/C28H24N2O3/c1-19(25-10-3-5-12-27(25)31)29-21-14-16-23(17-15-21)33-24-9-7-8-22(18-24)30-20(2)26-11-4-6-13-28(26)32/h3-18,31-32H,1-2H3/b29-19+,30-20+.
What are the key properties of 2-[N-[4-[3-[1-(2-hydroxyphenyl)ethylideneamino]phenoxy]phenyl]-C-methylcarbonimidoyl]phenol?
2-[N-[4-[3-[1-(2-hydroxyphenyl)ethylideneamino]phenoxy]phenyl]-C-methylcarbonimidoyl]phenol has a molecular weight of 436.51 g/mol, XLogP of 7.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-[4-[3-[1-(2-hydroxyphenyl)ethylideneamino]phenoxy]phenyl]-C-methylcarbonimidoyl]phenol is sourced from PubChem (CID 139069501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).