4-[C-(4-hydroxyphenyl)-N-(2-nitroanilino)carbonimidoyl]phenol

C19H15N3O4 — CID 135542525

IUPAC4-[C-(4-hydroxyphenyl)-N-(2-nitroanilino)carbonimidoyl]phenol
SMILESO=[N+]([O-])c1ccccc1NN=C(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C19H15N3O4/c23-15-9-5-13(6-10-15)19(14-7-11-16(24)12-8-14)21-20-17-3-1-2-4-18(17)22(25)26/h1-12,20,23-24H
InChIKeyYMINHOFPSMCUPI-UHFFFAOYSA-N
MW349.35 g/mol
LogP3.87
Rot. Bonds5

About 4-[C-(4-hydroxyphenyl)-N-(2-nitroanilino)carbonimidoyl]phenol

4-[C-(4-hydroxyphenyl)-N-(2-nitroanilino)carbonimidoyl]phenol (PubChem CID 135542525) has the molecular formula C19H15N3O4 and a molecular weight of 349.35 g/mol. Its IUPAC name is 4-[C-(4-hydroxyphenyl)-N-(2-nitroanilino)carbonimidoyl]phenol.

Molecular Properties

Compound Name4-[C-(4-hydroxyphenyl)-N-(2-nitroanilino)carbonimidoyl]phenol
PubChem CID135542525
Molecular FormulaC19H15N3O4
Molecular Weight349.35 g/mol
Exact Mass349.11
IUPAC Name4-[C-(4-hydroxyphenyl)-N-(2-nitroanilino)carbonimidoyl]phenol
SMILESO=[N+]([O-])c1ccccc1NN=C(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C19H15N3O4/c23-15-9-5-13(6-10-15)19(14-7-11-16(24)12-8-14)21-20-17-3-1-2-4-18(17)22(25)26/h1-12,20,23-24H
InChIKeyYMINHOFPSMCUPI-UHFFFAOYSA-N
XLogP3.87
TPSA107.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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

Sivifene
CID 3089902
(6Z)-6-[1-[2-(2-nitrophenyl)hydrazinyl]ethylidene]cyclohexa-2,4-dien-1-one
CID 135537585
4-{(2E)-2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl}-3-nitrobenzonitrile
CID 135643006
4-{(1E)-1-[2-(2-nitrophenyl)hydrazinylidene]propyl}phenol
CID 135455069
4-Nitro-2-[(2-nitro-phenyl)-hydrazonomethyl]-phenol
CID 135403145
4-{(1E)-1-[2-(2,4-dinitrophenyl)hydrazinylidene]propyl}phenol
CID 135642212
2-[N-anilino-C-(2-hydroxyphenyl)carbonimidoyl]phenol
CID 266986
(1E)-1-(4-hydroxyphenyl)ethanone (4-nitrophenyl)hydrazone
CID 135440580
2-[(E)-C-methyl-N-(3-nitroanilino)carbonimidoyl]phenol
CID 135519867
3,4-Dihydroxybenzaldehyde {2-nitrophenyl}hydrazone
CID 135458685
4-Hydroxybenzaldehyde, 4-nitrophenylhydrazone
CID 135620071
4-[(Z)-N-(2,4-dinitroanilino)-C-naphthalen-1-ylcarbonimidoyl]phenol
CID 135407588

Frequently Asked Questions

What is the IUPAC name of 4-[C-(4-hydroxyphenyl)-N-(2-nitroanilino)carbonimidoyl]phenol?
The IUPAC name of 4-[C-(4-hydroxyphenyl)-N-(2-nitroanilino)carbonimidoyl]phenol (CID 135542525) is 4-[C-(4-hydroxyphenyl)-N-(2-nitroanilino)carbonimidoyl]phenol.
What is the SMILES notation for 4-[C-(4-hydroxyphenyl)-N-(2-nitroanilino)carbonimidoyl]phenol?
The canonical SMILES for 4-[C-(4-hydroxyphenyl)-N-(2-nitroanilino)carbonimidoyl]phenol is O=[N+]([O-])c1ccccc1NN=C(c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of 4-[C-(4-hydroxyphenyl)-N-(2-nitroanilino)carbonimidoyl]phenol?
The InChIKey is YMINHOFPSMCUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O4/c23-15-9-5-13(6-10-15)19(14-7-11-16(24)12-8-14)21-20-17-3-1-2-4-18(17)22(25)26/h1-12,20,23-24H.
What are the key properties of 4-[C-(4-hydroxyphenyl)-N-(2-nitroanilino)carbonimidoyl]phenol?
4-[C-(4-hydroxyphenyl)-N-(2-nitroanilino)carbonimidoyl]phenol has a molecular weight of 349.35 g/mol, XLogP of 3.87, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[C-(4-hydroxyphenyl)-N-(2-nitroanilino)carbonimidoyl]phenol is sourced from PubChem (CID 135542525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).