4-[(1-phenylnaphthalen-2-yl)amino]phenol

C22H17NO — CID 67541341

IUPAC4-[(1-phenylnaphthalen-2-yl)amino]phenol
SMILESOc1ccc(Nc2ccc3ccccc3c2-c2ccccc2)cc1
InChIInChI=1S/C22H17NO/c24-19-13-11-18(12-14-19)23-21-15-10-16-6-4-5-9-20(16)22(21)17-7-2-1-3-8-17/h1-15,23-24H
InChIKeyJMIMILWVISHBCO-UHFFFAOYSA-N
MW311.38 g/mol
LogP5.96
Rot. Bonds3

About 4-[(1-phenylnaphthalen-2-yl)amino]phenol

4-[(1-phenylnaphthalen-2-yl)amino]phenol (PubChem CID 67541341) has the molecular formula C22H17NO and a molecular weight of 311.38 g/mol. Its IUPAC name is 4-[(1-phenylnaphthalen-2-yl)amino]phenol.

Molecular Properties

Compound Name4-[(1-phenylnaphthalen-2-yl)amino]phenol
PubChem CID67541341
Molecular FormulaC22H17NO
Molecular Weight311.38 g/mol
Exact Mass311.13
IUPAC Name4-[(1-phenylnaphthalen-2-yl)amino]phenol
SMILESOc1ccc(Nc2ccc3ccccc3c2-c2ccccc2)cc1
InChIInChI=1S/C22H17NO/c24-19-13-11-18(12-14-19)23-21-15-10-16-6-4-5-9-20(16)22(21)17-7-2-1-3-8-17/h1-15,23-24H
InChIKeyJMIMILWVISHBCO-UHFFFAOYSA-N
XLogP5.96
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.38
LogP ≤ 55.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-phenylnaphthalen-2-yl)amino]phenol?
The IUPAC name of 4-[(1-phenylnaphthalen-2-yl)amino]phenol (CID 67541341) is 4-[(1-phenylnaphthalen-2-yl)amino]phenol.
What is the SMILES notation for 4-[(1-phenylnaphthalen-2-yl)amino]phenol?
The canonical SMILES for 4-[(1-phenylnaphthalen-2-yl)amino]phenol is Oc1ccc(Nc2ccc3ccccc3c2-c2ccccc2)cc1.
What is the InChIKey of 4-[(1-phenylnaphthalen-2-yl)amino]phenol?
The InChIKey is JMIMILWVISHBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO/c24-19-13-11-18(12-14-19)23-21-15-10-16-6-4-5-9-20(16)22(21)17-7-2-1-3-8-17/h1-15,23-24H.
What are the key properties of 4-[(1-phenylnaphthalen-2-yl)amino]phenol?
4-[(1-phenylnaphthalen-2-yl)amino]phenol has a molecular weight of 311.38 g/mol, XLogP of 5.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-phenylnaphthalen-2-yl)amino]phenol is sourced from PubChem (CID 67541341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).