2-[(4-methylphenyl)methylideneamino]naphthalene-1,4-diol

C18H15NO2 — CID 123646076

IUPAC2-[(4-methylphenyl)methylideneamino]naphthalene-1,4-diol
SMILESCc1ccc(/C=N/c2cc(O)c3ccccc3c2O)cc1
InChIInChI=1S/C18H15NO2/c1-12-6-8-13(9-7-12)11-19-16-10-17(20)14-4-2-3-5-15(14)18(16)21/h2-11,20-21H,1H3/b19-11+
InChIKeyKGMYCVYBMMFOLS-YBFXNURJSA-N
MW277.32 g/mol
LogP4.31
Rot. Bonds2

About 2-[(4-methylphenyl)methylideneamino]naphthalene-1,4-diol

2-[(4-methylphenyl)methylideneamino]naphthalene-1,4-diol (PubChem CID 123646076) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methylideneamino]naphthalene-1,4-diol.

Molecular Properties

Compound Name2-[(4-methylphenyl)methylideneamino]naphthalene-1,4-diol
PubChem CID123646076
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name2-[(4-methylphenyl)methylideneamino]naphthalene-1,4-diol
SMILESCc1ccc(/C=N/c2cc(O)c3ccccc3c2O)cc1
InChIInChI=1S/C18H15NO2/c1-12-6-8-13(9-7-12)11-19-16-10-17(20)14-4-2-3-5-15(14)18(16)21/h2-11,20-21H,1H3/b19-11+
InChIKeyKGMYCVYBMMFOLS-YBFXNURJSA-N
XLogP4.31
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(propylideneamino)naphthalene-1,4-diol
CID 123930537
5-methyl-2-[(4-methylphenyl)methylideneamino]phenol
CID 30224082
2-[(4-methylphenyl)methylideneamino]-4-nitrophenol
CID 690997
N,1-bis(4-methylphenyl)methanimine
CID 525721
N-(4-methylphenyl)-1-[4-[(4-methylphenyl)iminomethyl]phenyl]methanimine
CID 1284722
2-[(4-fluorophenyl)methylideneamino]-5-methylphenol
CID 11579513
2-[(4-phenylphenyl)methylideneamino]phenol
CID 59227908
4-[(2,4-dimethylphenyl)iminomethyl]phenol
CID 137138686
N-(2,5-dimethylphenyl)-1-[4-[(2,5-dimethylphenyl)iminomethyl]phenyl]methanimine
CID 134109201
4,6-bis(benzylideneamino)benzene-1,3-diol
CID 58816982
1-(4-methylphenyl)-N-[4-[(E)-2-phenylethenyl]phenyl]methanimine
CID 102429934
2-phenyldiazenylnaphthalene-1,4-diol
CID 135400911

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methylideneamino]naphthalene-1,4-diol?
The IUPAC name of 2-[(4-methylphenyl)methylideneamino]naphthalene-1,4-diol (CID 123646076) is 2-[(4-methylphenyl)methylideneamino]naphthalene-1,4-diol.
What is the SMILES notation for 2-[(4-methylphenyl)methylideneamino]naphthalene-1,4-diol?
The canonical SMILES for 2-[(4-methylphenyl)methylideneamino]naphthalene-1,4-diol is Cc1ccc(/C=N/c2cc(O)c3ccccc3c2O)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methylideneamino]naphthalene-1,4-diol?
The InChIKey is KGMYCVYBMMFOLS-YBFXNURJSA-N. The full InChI is InChI=1S/C18H15NO2/c1-12-6-8-13(9-7-12)11-19-16-10-17(20)14-4-2-3-5-15(14)18(16)21/h2-11,20-21H,1H3/b19-11+.
What are the key properties of 2-[(4-methylphenyl)methylideneamino]naphthalene-1,4-diol?
2-[(4-methylphenyl)methylideneamino]naphthalene-1,4-diol has a molecular weight of 277.32 g/mol, XLogP of 4.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methylideneamino]naphthalene-1,4-diol is sourced from PubChem (CID 123646076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).