2-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-4,6-dimethylphenol

C16H16N2O5 — CID 3664795

IUPAC2-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-4,6-dimethylphenol
SMILESCOc1cc([N+](=O)[O-])cc(/C=N/c2cc(C)cc(C)c2O)c1O
InChIInChI=1S/C16H16N2O5/c1-9-4-10(2)15(19)13(5-9)17-8-11-6-12(18(21)22)7-14(23-3)16(11)20/h4-8,19-20H,1-3H3/b17-8+
InChIKeyACYAEOWYNGCJRC-CAOOACKPSA-N
MW316.31 g/mol
LogP3.38
Rot. Bonds4

About 2-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-4,6-dimethylphenol

2-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-4,6-dimethylphenol (PubChem CID 3664795) has the molecular formula C16H16N2O5 and a molecular weight of 316.31 g/mol. Its IUPAC name is 2-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-4,6-dimethylphenol.

Molecular Properties

Compound Name2-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-4,6-dimethylphenol
PubChem CID3664795
Molecular FormulaC16H16N2O5
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC Name2-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-4,6-dimethylphenol
SMILESCOc1cc([N+](=O)[O-])cc(/C=N/c2cc(C)cc(C)c2O)c1O
InChIInChI=1S/C16H16N2O5/c1-9-4-10(2)15(19)13(5-9)17-8-11-6-12(18(21)22)7-14(23-3)16(11)20/h4-8,19-20H,1-3H3/b17-8+
InChIKeyACYAEOWYNGCJRC-CAOOACKPSA-N
XLogP3.38
TPSA105.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2,4-dimethylphenyl)iminomethyl]-6-methyl-4-nitrophenol
CID 902425
2-[(2-hydroxyethylhydrazinylidene)methyl]-6-methoxy-4-nitrophenol
CID 136704595
N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 135615203
3,4-dibromo-2-[(2-hydroxy-3,5-dimethylphenyl)iminomethyl]-6-methoxyphenol
CID 1379409
N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-4-nitrobenzamide
CID 136712197
2-(3,5-dimethylphenoxy)-N-[(Z)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]acetamide
CID 135879015
2-methoxy-4-nitro-6-[(E)-(phenylhydrazinylidene)methyl]phenol
CID 136733461
2-(1H-indazol-5-yliminomethyl)-6-methoxy-4-nitrophenol
CID 3116012
2,4-dibromo-6-[(2-methoxy-4-nitrophenyl)iminomethyl]phenol
CID 4305611
4-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 135823384
1-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-3-phenylthiourea
CID 135667293
2-[[(3,4-dichlorophenyl)hydrazinylidene]methyl]-6-methoxy-4-nitrophenol
CID 136704644

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-4,6-dimethylphenol?
The IUPAC name of 2-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-4,6-dimethylphenol (CID 3664795) is 2-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-4,6-dimethylphenol.
What is the SMILES notation for 2-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-4,6-dimethylphenol?
The canonical SMILES for 2-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-4,6-dimethylphenol is COc1cc([N+](=O)[O-])cc(/C=N/c2cc(C)cc(C)c2O)c1O.
What is the InChIKey of 2-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-4,6-dimethylphenol?
The InChIKey is ACYAEOWYNGCJRC-CAOOACKPSA-N. The full InChI is InChI=1S/C16H16N2O5/c1-9-4-10(2)15(19)13(5-9)17-8-11-6-12(18(21)22)7-14(23-3)16(11)20/h4-8,19-20H,1-3H3/b17-8+.
What are the key properties of 2-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-4,6-dimethylphenol?
2-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-4,6-dimethylphenol has a molecular weight of 316.31 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-4,6-dimethylphenol is sourced from PubChem (CID 3664795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).