2-[2-[[2-hydroxy-5-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]ethyliminomethyl]-4-[(2-methylpropan-2-yl)oxy]phenol

C24H32N2O4 — CID 142265879

IUPAC2-[2-[[2-hydroxy-5-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]ethyliminomethyl]-4-[(2-methylpropan-2-yl)oxy]phenol
SMILESCC(C)(C)Oc1ccc(O)c(/C=N/CC/N=C/c2cc(OC(C)(C)C)ccc2O)c1
InChIInChI=1S/C24H32N2O4/c1-23(2,3)29-19-7-9-21(27)17(13-19)15-25-11-12-26-16-18-14-20(8-10-22(18)28)30-24(4,5)6/h7-10,13-16,27-28H,11-12H2,1-6H3/b25-15+,26-16+
InChIKeySMWJPIKAYJKMKL-RYQLWAFASA-N
MW412.53 g/mol
LogP4.99
Rot. Bonds7

About 2-[2-[[2-hydroxy-5-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]ethyliminomethyl]-4-[(2-methylpropan-2-yl)oxy]phenol

2-[2-[[2-hydroxy-5-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]ethyliminomethyl]-4-[(2-methylpropan-2-yl)oxy]phenol (PubChem CID 142265879) has the molecular formula C24H32N2O4 and a molecular weight of 412.53 g/mol. Its IUPAC name is 2-[2-[[2-hydroxy-5-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]ethyliminomethyl]-4-[(2-methylpropan-2-yl)oxy]phenol.

Molecular Properties

Compound Name2-[2-[[2-hydroxy-5-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]ethyliminomethyl]-4-[(2-methylpropan-2-yl)oxy]phenol
PubChem CID142265879
Molecular FormulaC24H32N2O4
Molecular Weight412.53 g/mol
Exact Mass412.24
IUPAC Name2-[2-[[2-hydroxy-5-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]ethyliminomethyl]-4-[(2-methylpropan-2-yl)oxy]phenol
SMILESCC(C)(C)Oc1ccc(O)c(/C=N/CC/N=C/c2cc(OC(C)(C)C)ccc2O)c1
InChIInChI=1S/C24H32N2O4/c1-23(2,3)29-19-7-9-21(27)17(13-19)15-25-11-12-26-16-18-14-20(8-10-22(18)28)30-24(4,5)6/h7-10,13-16,27-28H,11-12H2,1-6H3/b25-15+,26-16+
InChIKeySMWJPIKAYJKMKL-RYQLWAFASA-N
XLogP4.99
TPSA83.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 54.99
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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Related Compounds

2-[[3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2,2-dimethylpropyl]iminomethyl]-4-methoxyphenol
CID 137231962
4-methoxy-2-(2-sulfanylethyliminomethyl)phenol
CID 137210775
2-[2-[(2-hydroxy-5-icosoxyphenyl)methylideneamino]ethyliminomethyl]-4-icosoxyphenol
CID 136723269
3-[2-[(5-formyloxy-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]-4-hydroxybenzoic acid;zinc
CID 140655476
2-[2-[4-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]ethylsulfanyl]butylsulfanyl]ethyliminomethyl]-4-methoxyphenol
CID 137082870
4-ethoxy-2-[2-[4-(hydroxymethyl)phenyl]ethyliminomethyl]phenol
CID 136730298
2-[4-[(2-hydroxy-5-methylphenyl)methylideneamino]butyliminomethyl]-4-methylphenol
CID 136759942
4-ethenyl-2-[2-[(5-ethenyl-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 156779532
2-[2-(4-bromophenyl)sulfanylethyliminomethyl]-4-methoxyphenol
CID 135596106
2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide
CID 135817975
2-[2-[[2-hydroxy-5-(3-methylbutyl)phenyl]methylideneamino]ethyliminomethyl]-4-(3-methylbutyl)phenol
CID 137122372
bis(2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol);iron;methanol
CID 135440481

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-hydroxy-5-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]ethyliminomethyl]-4-[(2-methylpropan-2-yl)oxy]phenol?
The IUPAC name of 2-[2-[[2-hydroxy-5-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]ethyliminomethyl]-4-[(2-methylpropan-2-yl)oxy]phenol (CID 142265879) is 2-[2-[[2-hydroxy-5-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]ethyliminomethyl]-4-[(2-methylpropan-2-yl)oxy]phenol.
What is the SMILES notation for 2-[2-[[2-hydroxy-5-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]ethyliminomethyl]-4-[(2-methylpropan-2-yl)oxy]phenol?
The canonical SMILES for 2-[2-[[2-hydroxy-5-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]ethyliminomethyl]-4-[(2-methylpropan-2-yl)oxy]phenol is CC(C)(C)Oc1ccc(O)c(/C=N/CC/N=C/c2cc(OC(C)(C)C)ccc2O)c1.
What is the InChIKey of 2-[2-[[2-hydroxy-5-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]ethyliminomethyl]-4-[(2-methylpropan-2-yl)oxy]phenol?
The InChIKey is SMWJPIKAYJKMKL-RYQLWAFASA-N. The full InChI is InChI=1S/C24H32N2O4/c1-23(2,3)29-19-7-9-21(27)17(13-19)15-25-11-12-26-16-18-14-20(8-10-22(18)28)30-24(4,5)6/h7-10,13-16,27-28H,11-12H2,1-6H3/b25-15+,26-16+.
What are the key properties of 2-[2-[[2-hydroxy-5-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]ethyliminomethyl]-4-[(2-methylpropan-2-yl)oxy]phenol?
2-[2-[[2-hydroxy-5-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]ethyliminomethyl]-4-[(2-methylpropan-2-yl)oxy]phenol has a molecular weight of 412.53 g/mol, XLogP of 4.99, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-hydroxy-5-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]ethyliminomethyl]-4-[(2-methylpropan-2-yl)oxy]phenol is sourced from PubChem (CID 142265879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).