2-[(4-methylphenyl)methylideneamino]-4-nitrophenol

C14H12N2O3 — CID 690997

IUPAC2-[(4-methylphenyl)methylideneamino]-4-nitrophenol
SMILESCc1ccc(/C=N/c2cc([N+](=O)[O-])ccc2O)cc1
InChIInChI=1S/C14H12N2O3/c1-10-2-4-11(5-3-10)9-15-13-8-12(16(18)19)6-7-14(13)17/h2-9,17H,1H3/b15-9+
InChIKeyHKOJASIODBIBOR-OQLLNIDSSA-N
MW256.26 g/mol
LogP3.36
Rot. Bonds3

About 2-[(4-methylphenyl)methylideneamino]-4-nitrophenol

2-[(4-methylphenyl)methylideneamino]-4-nitrophenol (PubChem CID 690997) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methylideneamino]-4-nitrophenol.

Molecular Properties

Compound Name2-[(4-methylphenyl)methylideneamino]-4-nitrophenol
PubChem CID690997
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name2-[(4-methylphenyl)methylideneamino]-4-nitrophenol
SMILESCc1ccc(/C=N/c2cc([N+](=O)[O-])ccc2O)cc1
InChIInChI=1S/C14H12N2O3/c1-10-2-4-11(5-3-10)9-15-13-8-12(16(18)19)6-7-14(13)17/h2-9,17H,1H3/b15-9+
InChIKeyHKOJASIODBIBOR-OQLLNIDSSA-N
XLogP3.36
TPSA75.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

4-nitro-2-[(4-nitrophenyl)methylideneamino]phenol
CID 4006870
N-(2,4-dimethylphenyl)-1-(4-nitrophenyl)methanimine
CID 792021
4-methyl-2-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]phenol
CID 171981355
2-[(2-hydroxy-5-nitrophenyl)methylideneamino]-5-methylphenol
CID 3111519
4-[(2-methoxy-5-nitrophenyl)iminomethyl]phenol
CID 693735
2-[2-hydroxy-5-[(4-nitrophenyl)methylideneamino]phenyl]-4-[(4-nitrophenyl)methylideneamino]phenol
CID 71362397
2-[[5-(hydroxymethyl)furan-2-yl]methylideneamino]-4-nitrophenol
CID 54122330
4-[(2-methyl-5-nitrophenyl)iminomethyl]benzonitrile
CID 622181
1-(4-chlorophenyl)-N-(2-methyl-4-nitrophenyl)methanimine
CID 5036579
2-(anthracen-9-ylmethylideneamino)-4-nitrophenol
CID 932237
dichlorotitanium;4-nitro-2-(pyrrol-1-id-2-ylmethylideneamino)phenol
CID 59235478
4-ethyl-2-[(3-nitrophenyl)methylideneamino]phenol
CID 690293

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methylideneamino]-4-nitrophenol?
The IUPAC name of 2-[(4-methylphenyl)methylideneamino]-4-nitrophenol (CID 690997) is 2-[(4-methylphenyl)methylideneamino]-4-nitrophenol.
What is the SMILES notation for 2-[(4-methylphenyl)methylideneamino]-4-nitrophenol?
The canonical SMILES for 2-[(4-methylphenyl)methylideneamino]-4-nitrophenol is Cc1ccc(/C=N/c2cc([N+](=O)[O-])ccc2O)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methylideneamino]-4-nitrophenol?
The InChIKey is HKOJASIODBIBOR-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H12N2O3/c1-10-2-4-11(5-3-10)9-15-13-8-12(16(18)19)6-7-14(13)17/h2-9,17H,1H3/b15-9+.
What are the key properties of 2-[(4-methylphenyl)methylideneamino]-4-nitrophenol?
2-[(4-methylphenyl)methylideneamino]-4-nitrophenol has a molecular weight of 256.26 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methylideneamino]-4-nitrophenol is sourced from PubChem (CID 690997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).