4-methyl-2-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]phenol

C18H14N2O4 — CID 171981355

IUPAC4-methyl-2-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]phenol
SMILESCc1ccc(O)c(/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1
InChIInChI=1S/C18H14N2O4/c1-12-2-8-17(21)16(10-12)19-11-15-7-9-18(24-15)13-3-5-14(6-4-13)20(22)23/h2-11,21H,1H3/b19-11+
InChIKeyXAIUVTPQHYTFLZ-YBFXNURJSA-N
MW322.32 g/mol
LogP4.62
Rot. Bonds4

About 4-methyl-2-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]phenol

4-methyl-2-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]phenol (PubChem CID 171981355) has the molecular formula C18H14N2O4 and a molecular weight of 322.32 g/mol. Its IUPAC name is 4-methyl-2-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]phenol.

Molecular Properties

Compound Name4-methyl-2-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]phenol
PubChem CID171981355
Molecular FormulaC18H14N2O4
Molecular Weight322.32 g/mol
Exact Mass322.10
IUPAC Name4-methyl-2-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]phenol
SMILESCc1ccc(O)c(/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1
InChIInChI=1S/C18H14N2O4/c1-12-2-8-17(21)16(10-12)19-11-15-7-9-18(24-15)13-3-5-14(6-4-13)20(22)23/h2-11,21H,1H3/b19-11+
InChIKeyXAIUVTPQHYTFLZ-YBFXNURJSA-N
XLogP4.62
TPSA88.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 54.62
H-Bond Donors ≤ 51
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-[(4-methylphenyl)methylideneamino]-4-nitrophenol
CID 690997
2-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-4-methylphenol
CID 50884274
2-[[5-(hydroxymethyl)furan-2-yl]methylideneamino]-4-nitrophenol
CID 54122330
2-(2,4-dimethylphenyl)-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 92657666
2-[[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-5-methylphenol
CID 7209690
1-[4-[5-[(5-chloro-2-hydroxyphenyl)iminomethyl]furan-2-yl]phenyl]ethanone
CID 50884941
4-nitro-2-[(4-nitrophenyl)methylideneamino]phenol
CID 4006870
(5E)-2-(2,5-dimethylphenyl)imino-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 135404484
2-[(2-hydroxy-5-nitrophenyl)methylideneamino]-5-methylphenol
CID 3111519
(Z)-N-(4-methylpiperazin-1-yl)-1-[5-(4-nitrophenyl)furan-2-yl]methanimine
CID 5403502
4-iodo-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]aniline
CID 11840307
3-iodo-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 94846761

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]phenol?
The IUPAC name of 4-methyl-2-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]phenol (CID 171981355) is 4-methyl-2-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]phenol.
What is the SMILES notation for 4-methyl-2-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]phenol?
The canonical SMILES for 4-methyl-2-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]phenol is Cc1ccc(O)c(/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1.
What is the InChIKey of 4-methyl-2-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]phenol?
The InChIKey is XAIUVTPQHYTFLZ-YBFXNURJSA-N. The full InChI is InChI=1S/C18H14N2O4/c1-12-2-8-17(21)16(10-12)19-11-15-7-9-18(24-15)13-3-5-14(6-4-13)20(22)23/h2-11,21H,1H3/b19-11+.
What are the key properties of 4-methyl-2-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]phenol?
4-methyl-2-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]phenol has a molecular weight of 322.32 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]phenol is sourced from PubChem (CID 171981355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).