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

C20H17NO3 — CID 136502276

IUPAC4-[C-(4-hydroxyphenyl)-N-(4-methoxyphenyl)carbonimidoyl]phenol
SMILESCOc1ccc(N=C(c2ccc(O)cc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C20H17NO3/c1-24-19-12-6-16(7-13-19)21-20(14-2-8-17(22)9-3-14)15-4-10-18(23)11-5-15/h2-13,22-23H,1H3
InChIKeyRBMJSRJUTPNCDO-UHFFFAOYSA-N
MW319.36 g/mol
LogP4.28
Rot. Bonds4

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

4-[C-(4-hydroxyphenyl)-N-(4-methoxyphenyl)carbonimidoyl]phenol (PubChem CID 136502276) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is 4-[C-(4-hydroxyphenyl)-N-(4-methoxyphenyl)carbonimidoyl]phenol.

Molecular Properties

Compound Name4-[C-(4-hydroxyphenyl)-N-(4-methoxyphenyl)carbonimidoyl]phenol
PubChem CID136502276
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Name4-[C-(4-hydroxyphenyl)-N-(4-methoxyphenyl)carbonimidoyl]phenol
SMILESCOc1ccc(N=C(c2ccc(O)cc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C20H17NO3/c1-24-19-12-6-16(7-13-19)21-20(14-2-8-17(22)9-3-14)15-4-10-18(23)11-5-15/h2-13,22-23H,1H3
InChIKeyRBMJSRJUTPNCDO-UHFFFAOYSA-N
XLogP4.28
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[C-(4-hydroxyphenyl)-N-(4-methoxyphenyl)carbonimidoyl]phenol?
The IUPAC name of 4-[C-(4-hydroxyphenyl)-N-(4-methoxyphenyl)carbonimidoyl]phenol (CID 136502276) is 4-[C-(4-hydroxyphenyl)-N-(4-methoxyphenyl)carbonimidoyl]phenol.
What is the SMILES notation for 4-[C-(4-hydroxyphenyl)-N-(4-methoxyphenyl)carbonimidoyl]phenol?
The canonical SMILES for 4-[C-(4-hydroxyphenyl)-N-(4-methoxyphenyl)carbonimidoyl]phenol is COc1ccc(N=C(c2ccc(O)cc2)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[C-(4-hydroxyphenyl)-N-(4-methoxyphenyl)carbonimidoyl]phenol?
The InChIKey is RBMJSRJUTPNCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3/c1-24-19-12-6-16(7-13-19)21-20(14-2-8-17(22)9-3-14)15-4-10-18(23)11-5-15/h2-13,22-23H,1H3.
What are the key properties of 4-[C-(4-hydroxyphenyl)-N-(4-methoxyphenyl)carbonimidoyl]phenol?
4-[C-(4-hydroxyphenyl)-N-(4-methoxyphenyl)carbonimidoyl]phenol has a molecular weight of 319.36 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[C-(4-hydroxyphenyl)-N-(4-methoxyphenyl)carbonimidoyl]phenol is sourced from PubChem (CID 136502276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).