2-[(4-phenylanilino)methyl]phenol

C19H17NO — CID 43716856

IUPAC2-[(4-phenylanilino)methyl]phenol
SMILESOc1ccccc1CNc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H17NO/c21-19-9-5-4-8-17(19)14-20-18-12-10-16(11-13-18)15-6-2-1-3-7-15/h1-13,20-21H,14H2
InChIKeyIRIQHSZGVZUGLG-UHFFFAOYSA-N
MW275.35 g/mol
LogP4.67
Rot. Bonds4

About 2-[(4-phenylanilino)methyl]phenol

2-[(4-phenylanilino)methyl]phenol (PubChem CID 43716856) has the molecular formula C19H17NO and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[(4-phenylanilino)methyl]phenol.

Molecular Properties

Compound Name2-[(4-phenylanilino)methyl]phenol
PubChem CID43716856
Molecular FormulaC19H17NO
Molecular Weight275.35 g/mol
Exact Mass275.13
IUPAC Name2-[(4-phenylanilino)methyl]phenol
SMILESOc1ccccc1CNc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H17NO/c21-19-9-5-4-8-17(19)14-20-18-12-10-16(11-13-18)15-6-2-1-3-7-15/h1-13,20-21H,14H2
InChIKeyIRIQHSZGVZUGLG-UHFFFAOYSA-N
XLogP4.67
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 54.67
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-phenylanilino)methyl]phenol?
The IUPAC name of 2-[(4-phenylanilino)methyl]phenol (CID 43716856) is 2-[(4-phenylanilino)methyl]phenol.
What is the SMILES notation for 2-[(4-phenylanilino)methyl]phenol?
The canonical SMILES for 2-[(4-phenylanilino)methyl]phenol is Oc1ccccc1CNc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-[(4-phenylanilino)methyl]phenol?
The InChIKey is IRIQHSZGVZUGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO/c21-19-9-5-4-8-17(19)14-20-18-12-10-16(11-13-18)15-6-2-1-3-7-15/h1-13,20-21H,14H2.
What are the key properties of 2-[(4-phenylanilino)methyl]phenol?
2-[(4-phenylanilino)methyl]phenol has a molecular weight of 275.35 g/mol, XLogP of 4.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenylanilino)methyl]phenol is sourced from PubChem (CID 43716856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).