2-[[(4-nitrophenyl)methylideneamino]methyl]phenol

C14H12N2O3 — CID 24749899

IUPAC2-[[(4-nitrophenyl)methylideneamino]methyl]phenol
SMILESO=[N+]([O-])c1ccc(/C=N/Cc2ccccc2O)cc1
InChIInChI=1S/C14H12N2O3/c17-14-4-2-1-3-12(14)10-15-9-11-5-7-13(8-6-11)16(18)19/h1-9,17H,10H2/b15-9+
InChIKeyIFIMHCXPTOPBJD-OQLLNIDSSA-N
MW256.26 g/mol
LogP2.92
Rot. Bonds4

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

2-[[(4-nitrophenyl)methylideneamino]methyl]phenol (PubChem CID 24749899) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-[[(4-nitrophenyl)methylideneamino]methyl]phenol.

Molecular Properties

Compound Name2-[[(4-nitrophenyl)methylideneamino]methyl]phenol
PubChem CID24749899
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name2-[[(4-nitrophenyl)methylideneamino]methyl]phenol
SMILESO=[N+]([O-])c1ccc(/C=N/Cc2ccccc2O)cc1
InChIInChI=1S/C14H12N2O3/c17-14-4-2-1-3-12(14)10-15-9-11-5-7-13(8-6-11)16(18)19/h1-9,17H,10H2/b15-9+
InChIKeyIFIMHCXPTOPBJD-OQLLNIDSSA-N
XLogP2.92
TPSA75.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', '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-nitrophenyl)methylideneamino]-1-phenylethanol
CID 5252818
(E)-N-[(E)-(4-nitrophenyl)methylideneamino]-1-phenylmethanimine
CID 139599955
4-nitro-2-[(4-nitrophenyl)methylideneamino]phenol
CID 4006870
1-[(4-nitrophenyl)methylideneamino]-3-phenoxypropan-2-ol
CID 86184636
2-[2-(4-nitrophenoxy)ethyl]phenol
CID 71616729
2-[(2-chlorophenyl)methyliminomethyl]-4-nitrophenolate
CID 7606291
(E)-1-(4-nitrophenyl)-N-phenylmethoxymethanimine
CID 13147214
2-[2-hydroxy-5-[(4-nitrophenyl)methylideneamino]phenyl]-4-[(4-nitrophenyl)methylideneamino]phenol
CID 71362397
2-[(4-nitrophenyl)methylideneamino]benzamide
CID 910209
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]-4-nitrophenol
CID 177498703
N'-[(4-nitrophenyl)methylideneamino]benzenecarboximidamide
CID 70171064
N,N'-bis[(Z)-(4-nitrophenyl)methylideneamino]oxamide
CID 6163815

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-nitrophenyl)methylideneamino]methyl]phenol?
The IUPAC name of 2-[[(4-nitrophenyl)methylideneamino]methyl]phenol (CID 24749899) is 2-[[(4-nitrophenyl)methylideneamino]methyl]phenol.
What is the SMILES notation for 2-[[(4-nitrophenyl)methylideneamino]methyl]phenol?
The canonical SMILES for 2-[[(4-nitrophenyl)methylideneamino]methyl]phenol is O=[N+]([O-])c1ccc(/C=N/Cc2ccccc2O)cc1.
What is the InChIKey of 2-[[(4-nitrophenyl)methylideneamino]methyl]phenol?
The InChIKey is IFIMHCXPTOPBJD-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H12N2O3/c17-14-4-2-1-3-12(14)10-15-9-11-5-7-13(8-6-11)16(18)19/h1-9,17H,10H2/b15-9+.
What are the key properties of 2-[[(4-nitrophenyl)methylideneamino]methyl]phenol?
2-[[(4-nitrophenyl)methylideneamino]methyl]phenol has a molecular weight of 256.26 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-nitrophenyl)methylideneamino]methyl]phenol is sourced from PubChem (CID 24749899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).