2-[[3-[(2-hydroxy-5-methylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-methylphenol

C26H22N2O2 — CID 137037421

IUPAC2-[[3-[(2-hydroxy-5-methylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-methylphenol
SMILESCc1ccc(O)c(/C=N/c2cc3ccccc3cc2/N=C/c2cc(C)ccc2O)c1
InChIInChI=1S/C26H22N2O2/c1-17-7-9-25(29)21(11-17)15-27-23-13-19-5-3-4-6-20(19)14-24(23)28-16-22-12-18(2)8-10-26(22)30/h3-16,29-30H,1-2H3/b27-15+,28-16+
InChIKeyWGVODUHYHXZPCE-DPCVLPDWSA-N
MW394.47 g/mol
LogP6.37
Rot. Bonds4

About 2-[[3-[(2-hydroxy-5-methylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-methylphenol

2-[[3-[(2-hydroxy-5-methylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-methylphenol (PubChem CID 137037421) has the molecular formula C26H22N2O2 and a molecular weight of 394.47 g/mol. Its IUPAC name is 2-[[3-[(2-hydroxy-5-methylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-methylphenol.

Molecular Properties

Compound Name2-[[3-[(2-hydroxy-5-methylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-methylphenol
PubChem CID137037421
Molecular FormulaC26H22N2O2
Molecular Weight394.47 g/mol
Exact Mass394.17
IUPAC Name2-[[3-[(2-hydroxy-5-methylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-methylphenol
SMILESCc1ccc(O)c(/C=N/c2cc3ccccc3cc2/N=C/c2cc(C)ccc2O)c1
InChIInChI=1S/C26H22N2O2/c1-17-7-9-25(29)21(11-17)15-27-23-13-19-5-3-4-6-20(19)14-24(23)28-16-22-12-18(2)8-10-26(22)30/h3-16,29-30H,1-2H3/b27-15+,28-16+
InChIKeyWGVODUHYHXZPCE-DPCVLPDWSA-N
XLogP6.37
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.47
LogP ≤ 56.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2-[(2-methylphenyl)iminomethyl]phenol
CID 136675822
2-[[3-[(2-hydroxy-5-propan-2-ylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-propan-2-ylphenol
CID 137071368
2-[(2-ethynylphenyl)iminomethyl]-4-methylphenol
CID 160702098
2-[[3-[(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-phenyldiazenylphenol
CID 136823529
4-methyl-2-[(4-methylphenyl)iminomethyl]phenol
CID 3627082
4-methyl-2-(naphthalen-1-ylmethylideneamino)phenol
CID 832580
2-[(2-fluoro-5-methylphenyl)iminomethyl]phenol
CID 4857118
N-[2-[(2-hydroxy-5-methylphenyl)methylideneamino]phenyl]-4-methylbenzenesulfonamide
CID 2840139
2-[[(1S,2S)-2-[(2-hydroxy-5-methylphenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]-4-methylphenol
CID 136866110
4-chloro-2-[(2,5-dimethylphenyl)iminomethyl]phenol
CID 135648337
2-[(2-fluoro-5-methylphenyl)iminomethyl]-4-methoxyphenol
CID 135595645
2-[(E)-methoxyiminomethyl]-4-methylphenol
CID 137270598

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(2-hydroxy-5-methylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-methylphenol?
The IUPAC name of 2-[[3-[(2-hydroxy-5-methylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-methylphenol (CID 137037421) is 2-[[3-[(2-hydroxy-5-methylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-methylphenol.
What is the SMILES notation for 2-[[3-[(2-hydroxy-5-methylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-methylphenol?
The canonical SMILES for 2-[[3-[(2-hydroxy-5-methylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-methylphenol is Cc1ccc(O)c(/C=N/c2cc3ccccc3cc2/N=C/c2cc(C)ccc2O)c1.
What is the InChIKey of 2-[[3-[(2-hydroxy-5-methylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-methylphenol?
The InChIKey is WGVODUHYHXZPCE-DPCVLPDWSA-N. The full InChI is InChI=1S/C26H22N2O2/c1-17-7-9-25(29)21(11-17)15-27-23-13-19-5-3-4-6-20(19)14-24(23)28-16-22-12-18(2)8-10-26(22)30/h3-16,29-30H,1-2H3/b27-15+,28-16+.
What are the key properties of 2-[[3-[(2-hydroxy-5-methylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-methylphenol?
2-[[3-[(2-hydroxy-5-methylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-methylphenol has a molecular weight of 394.47 g/mol, XLogP of 6.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(2-hydroxy-5-methylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-methylphenol is sourced from PubChem (CID 137037421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).