2-[[4-(4-phenylphenyl)anilino]methyl]phenol

C25H21NO — CID 122182731

IUPAC2-[[4-(4-phenylphenyl)anilino]methyl]phenol
SMILESOc1ccccc1CNc1ccc(-c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C25H21NO/c27-25-9-5-4-8-23(25)18-26-24-16-14-22(15-17-24)21-12-10-20(11-13-21)19-6-2-1-3-7-19/h1-17,26-27H,18H2
InChIKeyWOZISUDMPQCRGV-UHFFFAOYSA-N
MW351.45 g/mol
LogP6.34
Rot. Bonds5

About 2-[[4-(4-phenylphenyl)anilino]methyl]phenol

2-[[4-(4-phenylphenyl)anilino]methyl]phenol (PubChem CID 122182731) has the molecular formula C25H21NO and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-[[4-(4-phenylphenyl)anilino]methyl]phenol.

Molecular Properties

Compound Name2-[[4-(4-phenylphenyl)anilino]methyl]phenol
PubChem CID122182731
Molecular FormulaC25H21NO
Molecular Weight351.45 g/mol
Exact Mass351.16
IUPAC Name2-[[4-(4-phenylphenyl)anilino]methyl]phenol
SMILESOc1ccccc1CNc1ccc(-c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C25H21NO/c27-25-9-5-4-8-23(25)18-26-24-16-14-22(15-17-24)21-12-10-20(11-13-21)19-6-2-1-3-7-19/h1-17,26-27H,18H2
InChIKeyWOZISUDMPQCRGV-UHFFFAOYSA-N
XLogP6.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.45
LogP ≤ 56.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-phenylphenyl)anilino]methyl]phenol?
The IUPAC name of 2-[[4-(4-phenylphenyl)anilino]methyl]phenol (CID 122182731) is 2-[[4-(4-phenylphenyl)anilino]methyl]phenol.
What is the SMILES notation for 2-[[4-(4-phenylphenyl)anilino]methyl]phenol?
The canonical SMILES for 2-[[4-(4-phenylphenyl)anilino]methyl]phenol is Oc1ccccc1CNc1ccc(-c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 2-[[4-(4-phenylphenyl)anilino]methyl]phenol?
The InChIKey is WOZISUDMPQCRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO/c27-25-9-5-4-8-23(25)18-26-24-16-14-22(15-17-24)21-12-10-20(11-13-21)19-6-2-1-3-7-19/h1-17,26-27H,18H2.
What are the key properties of 2-[[4-(4-phenylphenyl)anilino]methyl]phenol?
2-[[4-(4-phenylphenyl)anilino]methyl]phenol has a molecular weight of 351.45 g/mol, XLogP of 6.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-phenylphenyl)anilino]methyl]phenol is sourced from PubChem (CID 122182731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).