2-[[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]-4-phenylphenol

C21H16N2O3 — CID 6245849

IUPAC2-[[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]-4-phenylphenol
SMILESO=[N+]([O-])c1ccc(/C=C/C=N/c2cc(-c3ccccc3)ccc2O)cc1
InChIInChI=1S/C21H16N2O3/c24-21-13-10-18(17-6-2-1-3-7-17)15-20(21)22-14-4-5-16-8-11-19(12-9-16)23(25)26/h1-15,24H/b5-4+,22-14+
InChIKeyLZYZFIAFFUTSCU-JZILYMMXSA-N
MW344.37 g/mol
LogP5.38
Rot. Bonds5

About 2-[[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]-4-phenylphenol

2-[[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]-4-phenylphenol (PubChem CID 6245849) has the molecular formula C21H16N2O3 and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-[[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]-4-phenylphenol.

Molecular Properties

Compound Name2-[[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]-4-phenylphenol
PubChem CID6245849
Molecular FormulaC21H16N2O3
Molecular Weight344.37 g/mol
Exact Mass344.12
IUPAC Name2-[[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]-4-phenylphenol
SMILESO=[N+]([O-])c1ccc(/C=C/C=N/c2cc(-c3ccccc3)ccc2O)cc1
InChIInChI=1S/C21H16N2O3/c24-21-13-10-18(17-6-2-1-3-7-17)15-20(21)22-14-4-5-16-8-11-19(12-9-16)23(25)26/h1-15,24H/b5-4+,22-14+
InChIKeyLZYZFIAFFUTSCU-JZILYMMXSA-N
XLogP5.38
TPSA75.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.37
LogP ≤ 55.38
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-[(2R)-butan-2-yl]-2-[[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]phenol
CID 40517360
1-[(E)-2-(4-nitrophenyl)ethenyl]-4-phenylbenzene
CID 6242844
4-nitro-2-[(4-nitrophenyl)methylideneamino]phenol
CID 4006870
1-nitro-4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]benzene
CID 6258529
2-[(4-methylphenyl)methylideneamino]-4-nitrophenol
CID 690997
2-[3-(3-nitrophenyl)prop-2-enylideneamino]-4-propylphenol
CID 3469815
5-[[(Z)-3-(4-nitrophenyl)prop-2-enylidene]amino]-6-phenylpyrimidine-2,4-diamine
CID 54609988
N-(2,5-dimethoxyphenyl)-3-(4-nitrophenyl)prop-2-en-1-imine
CID 4102744
1-(4-nitrophenyl)-N-(3-phenylphenyl)methanimine
CID 102486520
2-hydroxy-N-[(E)-[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]-2,2-diphenylacetamide
CID 5338017
formaldehyde;bis(1-nitro-4-phenylbenzene)
CID 174842779
1-nitro-4-[(1E,3E,5E)-6-(4-nitrophenyl)hexa-1,3,5-trienyl]benzene
CID 6177872

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]-4-phenylphenol?
The IUPAC name of 2-[[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]-4-phenylphenol (CID 6245849) is 2-[[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]-4-phenylphenol.
What is the SMILES notation for 2-[[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]-4-phenylphenol?
The canonical SMILES for 2-[[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]-4-phenylphenol is O=[N+]([O-])c1ccc(/C=C/C=N/c2cc(-c3ccccc3)ccc2O)cc1.
What is the InChIKey of 2-[[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]-4-phenylphenol?
The InChIKey is LZYZFIAFFUTSCU-JZILYMMXSA-N. The full InChI is InChI=1S/C21H16N2O3/c24-21-13-10-18(17-6-2-1-3-7-17)15-20(21)22-14-4-5-16-8-11-19(12-9-16)23(25)26/h1-15,24H/b5-4+,22-14+.
What are the key properties of 2-[[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]-4-phenylphenol?
2-[[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]-4-phenylphenol has a molecular weight of 344.37 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]-4-phenylphenol is sourced from PubChem (CID 6245849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).