4-[3-(4-aminophenyl)-2-(4-hydroxyphenyl)phenyl]phenol

C24H19NO2 — CID 139931809

IUPAC4-[3-(4-aminophenyl)-2-(4-hydroxyphenyl)phenyl]phenol
SMILESNc1ccc(-c2cccc(-c3ccc(O)cc3)c2-c2ccc(O)cc2)cc1
InChIInChI=1S/C24H19NO2/c25-19-10-4-16(5-11-19)22-2-1-3-23(17-6-12-20(26)13-7-17)24(22)18-8-14-21(27)15-9-18/h1-15,26-27H,25H2
InChIKeyOMSDDGZSKJXOOL-UHFFFAOYSA-N
MW353.42 g/mol
LogP5.68
Rot. Bonds3

About 4-[3-(4-aminophenyl)-2-(4-hydroxyphenyl)phenyl]phenol

4-[3-(4-aminophenyl)-2-(4-hydroxyphenyl)phenyl]phenol (PubChem CID 139931809) has the molecular formula C24H19NO2 and a molecular weight of 353.42 g/mol. Its IUPAC name is 4-[3-(4-aminophenyl)-2-(4-hydroxyphenyl)phenyl]phenol.

Molecular Properties

Compound Name4-[3-(4-aminophenyl)-2-(4-hydroxyphenyl)phenyl]phenol
PubChem CID139931809
Molecular FormulaC24H19NO2
Molecular Weight353.42 g/mol
Exact Mass353.14
IUPAC Name4-[3-(4-aminophenyl)-2-(4-hydroxyphenyl)phenyl]phenol
SMILESNc1ccc(-c2cccc(-c3ccc(O)cc3)c2-c2ccc(O)cc2)cc1
InChIInChI=1S/C24H19NO2/c25-19-10-4-16(5-11-19)22-2-1-3-23(17-6-12-20(26)13-7-17)24(22)18-8-14-21(27)15-9-18/h1-15,26-27H,25H2
InChIKeyOMSDDGZSKJXOOL-UHFFFAOYSA-N
XLogP5.68
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.42
LogP ≤ 55.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-aminophenyl)-2-(4-hydroxyphenyl)phenyl]phenol?
The IUPAC name of 4-[3-(4-aminophenyl)-2-(4-hydroxyphenyl)phenyl]phenol (CID 139931809) is 4-[3-(4-aminophenyl)-2-(4-hydroxyphenyl)phenyl]phenol.
What is the SMILES notation for 4-[3-(4-aminophenyl)-2-(4-hydroxyphenyl)phenyl]phenol?
The canonical SMILES for 4-[3-(4-aminophenyl)-2-(4-hydroxyphenyl)phenyl]phenol is Nc1ccc(-c2cccc(-c3ccc(O)cc3)c2-c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[3-(4-aminophenyl)-2-(4-hydroxyphenyl)phenyl]phenol?
The InChIKey is OMSDDGZSKJXOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO2/c25-19-10-4-16(5-11-19)22-2-1-3-23(17-6-12-20(26)13-7-17)24(22)18-8-14-21(27)15-9-18/h1-15,26-27H,25H2.
What are the key properties of 4-[3-(4-aminophenyl)-2-(4-hydroxyphenyl)phenyl]phenol?
4-[3-(4-aminophenyl)-2-(4-hydroxyphenyl)phenyl]phenol has a molecular weight of 353.42 g/mol, XLogP of 5.68, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-aminophenyl)-2-(4-hydroxyphenyl)phenyl]phenol is sourced from PubChem (CID 139931809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).