2-[(4-nitrophenyl)methylideneamino]-1-phenylethanol

C15H14N2O3 — CID 5252818

IUPAC2-[(4-nitrophenyl)methylideneamino]-1-phenylethanol
SMILESO=[N+]([O-])c1ccc(/C=N/CC(O)c2ccccc2)cc1
InChIInChI=1S/C15H14N2O3/c18-15(13-4-2-1-3-5-13)11-16-10-12-6-8-14(9-7-12)17(19)20/h1-10,15,18H,11H2/b16-10+
InChIKeyMGZNESQVQRHVAE-MHWRWJLKSA-N
MW270.29 g/mol
LogP2.75
Rot. Bonds5

About 2-[(4-nitrophenyl)methylideneamino]-1-phenylethanol

2-[(4-nitrophenyl)methylideneamino]-1-phenylethanol (PubChem CID 5252818) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-[(4-nitrophenyl)methylideneamino]-1-phenylethanol.

Molecular Properties

Compound Name2-[(4-nitrophenyl)methylideneamino]-1-phenylethanol
PubChem CID5252818
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name2-[(4-nitrophenyl)methylideneamino]-1-phenylethanol
SMILESO=[N+]([O-])c1ccc(/C=N/CC(O)c2ccccc2)cc1
InChIInChI=1S/C15H14N2O3/c18-15(13-4-2-1-3-5-13)11-16-10-12-6-8-14(9-7-12)17(19)20/h1-10,15,18H,11H2/b16-10+
InChIKeyMGZNESQVQRHVAE-MHWRWJLKSA-N
XLogP2.75
TPSA75.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

1-[(4-nitrophenyl)methylideneamino]-3-phenoxypropan-2-ol
CID 86184636
(E)-N-[(E)-(4-nitrophenyl)methylideneamino]-1-phenylmethanimine
CID 139599955
2-[[(4-nitrophenyl)methylideneamino]methyl]phenol
CID 24749899
(S)-(4-nitrophenyl)-phenylmethanol
CID 15555304
(4S)-4-[[(2S)-2-hydroxy-2-phenylethyl]iminomethyl]-5-methyl-2-(4-nitrophenyl)-4H-pyrazol-3-one
CID 7471751
(E)-1-(4-nitrophenyl)-N-phenylmethoxymethanimine
CID 13147214
3-(4-nitrophenyl)-1-phenylbutane-1,3-diol
CID 70228127
1-(4-nitrophenyl)-3-phenylpropan-1-ol
CID 155543661
1-(4-nitrophenyl)-N-[(1R)-1-phenyl-2-phenylmethoxyethyl]methanimine
CID 135078094
(2E,4E)-5-(4-nitrophenyl)-1-phenylpenta-2,4-dien-1-ol
CID 23263855
2-(3,5-dinitrophenyl)-1-phenylethanol
CID 88671107
(1E,4E)-1-(4-nitrophenyl)-5-phenylpenta-1,4-dien-3-ol
CID 23263853

Frequently Asked Questions

What is the IUPAC name of 2-[(4-nitrophenyl)methylideneamino]-1-phenylethanol?
The IUPAC name of 2-[(4-nitrophenyl)methylideneamino]-1-phenylethanol (CID 5252818) is 2-[(4-nitrophenyl)methylideneamino]-1-phenylethanol.
What is the SMILES notation for 2-[(4-nitrophenyl)methylideneamino]-1-phenylethanol?
The canonical SMILES for 2-[(4-nitrophenyl)methylideneamino]-1-phenylethanol is O=[N+]([O-])c1ccc(/C=N/CC(O)c2ccccc2)cc1.
What is the InChIKey of 2-[(4-nitrophenyl)methylideneamino]-1-phenylethanol?
The InChIKey is MGZNESQVQRHVAE-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H14N2O3/c18-15(13-4-2-1-3-5-13)11-16-10-12-6-8-14(9-7-12)17(19)20/h1-10,15,18H,11H2/b16-10+.
What are the key properties of 2-[(4-nitrophenyl)methylideneamino]-1-phenylethanol?
2-[(4-nitrophenyl)methylideneamino]-1-phenylethanol has a molecular weight of 270.29 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-nitrophenyl)methylideneamino]-1-phenylethanol is sourced from PubChem (CID 5252818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).