2-[(2-hydroxy-5-nitrophenyl)methylideneamino]-5-methylphenol

C14H12N2O4 — CID 3111519

IUPAC2-[(2-hydroxy-5-nitrophenyl)methylideneamino]-5-methylphenol
SMILESCc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2O)c(O)c1
InChIInChI=1S/C14H12N2O4/c1-9-2-4-12(14(18)6-9)15-8-10-7-11(16(19)20)3-5-13(10)17/h2-8,17-18H,1H3/b15-8+
InChIKeyCTCGXYRUNWUOOL-OVCLIPMQSA-N
MW272.26 g/mol
LogP3.07
Rot. Bonds3

About 2-[(2-hydroxy-5-nitrophenyl)methylideneamino]-5-methylphenol

2-[(2-hydroxy-5-nitrophenyl)methylideneamino]-5-methylphenol (PubChem CID 3111519) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 2-[(2-hydroxy-5-nitrophenyl)methylideneamino]-5-methylphenol.

Molecular Properties

Compound Name2-[(2-hydroxy-5-nitrophenyl)methylideneamino]-5-methylphenol
PubChem CID3111519
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name2-[(2-hydroxy-5-nitrophenyl)methylideneamino]-5-methylphenol
SMILESCc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2O)c(O)c1
InChIInChI=1S/C14H12N2O4/c1-9-2-4-12(14(18)6-9)15-8-10-7-11(16(19)20)3-5-13(10)17/h2-8,17-18H,1H3/b15-8+
InChIKeyCTCGXYRUNWUOOL-OVCLIPMQSA-N
XLogP3.07
TPSA95.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-bromo-4-nitrophenyl)iminomethyl]-4-nitrophenol
CID 2838677
2-[(4-chloro-2-fluorophenyl)iminomethyl]-4-nitrophenol
CID 135595304
2-[(4-methoxy-2-nitrophenyl)iminomethyl]-4-nitrophenol
CID 4595228
3-[(2-hydroxy-5-nitrophenyl)methylideneamino]-4-methylbenzoic acid
CID 137085922
2-[(2,4-dimethoxyphenyl)iminomethyl]-4-nitrophenol
CID 135595595
2-[[2-hydroxy-5-[4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]-4-nitrophenol
CID 3683994
2-[(4-methylphenyl)methylideneamino]-4-nitrophenol
CID 690997
2-[(2,5-dichlorophenyl)iminomethyl]-4-nitrophenol
CID 690802
2-[(2,4-dimethylphenyl)iminomethyl]-6-methyl-4-nitrophenol
CID 902425
2-[(2-chloro-4-methylphenyl)iminomethyl]-4-nitrophenolate
CID 7605931
CID 136620756
CID 136620756
4-tert-butyl-2-chloro-6-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenolate
CID 135682525

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-5-nitrophenyl)methylideneamino]-5-methylphenol?
The IUPAC name of 2-[(2-hydroxy-5-nitrophenyl)methylideneamino]-5-methylphenol (CID 3111519) is 2-[(2-hydroxy-5-nitrophenyl)methylideneamino]-5-methylphenol.
What is the SMILES notation for 2-[(2-hydroxy-5-nitrophenyl)methylideneamino]-5-methylphenol?
The canonical SMILES for 2-[(2-hydroxy-5-nitrophenyl)methylideneamino]-5-methylphenol is Cc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2O)c(O)c1.
What is the InChIKey of 2-[(2-hydroxy-5-nitrophenyl)methylideneamino]-5-methylphenol?
The InChIKey is CTCGXYRUNWUOOL-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H12N2O4/c1-9-2-4-12(14(18)6-9)15-8-10-7-11(16(19)20)3-5-13(10)17/h2-8,17-18H,1H3/b15-8+.
What are the key properties of 2-[(2-hydroxy-5-nitrophenyl)methylideneamino]-5-methylphenol?
2-[(2-hydroxy-5-nitrophenyl)methylideneamino]-5-methylphenol has a molecular weight of 272.26 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-5-nitrophenyl)methylideneamino]-5-methylphenol is sourced from PubChem (CID 3111519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).