4-[N-anilino-C-(4-hydroxyphenyl)carbonimidoyl]phenol

C19H16N2O2 — CID 135533233

IUPAC4-[N-anilino-C-(4-hydroxyphenyl)carbonimidoyl]phenol
SMILESOc1ccc(C(=NNc2ccccc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C19H16N2O2/c22-17-10-6-14(7-11-17)19(15-8-12-18(23)13-9-15)21-20-16-4-2-1-3-5-16/h1-13,20,22-23H
InChIKeyWZQGGFKIYYCMNK-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.96
Rot. Bonds4

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

4-[N-anilino-C-(4-hydroxyphenyl)carbonimidoyl]phenol (PubChem CID 135533233) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 4-[N-anilino-C-(4-hydroxyphenyl)carbonimidoyl]phenol.

Molecular Properties

Compound Name4-[N-anilino-C-(4-hydroxyphenyl)carbonimidoyl]phenol
PubChem CID135533233
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name4-[N-anilino-C-(4-hydroxyphenyl)carbonimidoyl]phenol
SMILESOc1ccc(C(=NNc2ccccc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C19H16N2O2/c22-17-10-6-14(7-11-17)19(15-8-12-18(23)13-9-15)21-20-16-4-2-1-3-5-16/h1-13,20,22-23H
InChIKeyWZQGGFKIYYCMNK-UHFFFAOYSA-N
XLogP3.96
TPSA64.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[N-anilino-C-(4-hydroxyphenyl)carbonimidoyl]phenol?
The IUPAC name of 4-[N-anilino-C-(4-hydroxyphenyl)carbonimidoyl]phenol (CID 135533233) is 4-[N-anilino-C-(4-hydroxyphenyl)carbonimidoyl]phenol.
What is the SMILES notation for 4-[N-anilino-C-(4-hydroxyphenyl)carbonimidoyl]phenol?
The canonical SMILES for 4-[N-anilino-C-(4-hydroxyphenyl)carbonimidoyl]phenol is Oc1ccc(C(=NNc2ccccc2)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[N-anilino-C-(4-hydroxyphenyl)carbonimidoyl]phenol?
The InChIKey is WZQGGFKIYYCMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c22-17-10-6-14(7-11-17)19(15-8-12-18(23)13-9-15)21-20-16-4-2-1-3-5-16/h1-13,20,22-23H.
What are the key properties of 4-[N-anilino-C-(4-hydroxyphenyl)carbonimidoyl]phenol?
4-[N-anilino-C-(4-hydroxyphenyl)carbonimidoyl]phenol has a molecular weight of 304.35 g/mol, XLogP of 3.96, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[N-anilino-C-(4-hydroxyphenyl)carbonimidoyl]phenol is sourced from PubChem (CID 135533233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).