4-amino-2-phenylphenol

C12H11NO — CID 29595

IUPAC4-amino-2-phenylphenol
SMILESNc1ccc(O)c(-c2ccccc2)c1
InChIInChI=1S/C12H11NO/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8,14H,13H2
InChIKeyOUIITAOCYATDMY-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.64
Rot. Bonds1

About 4-amino-2-phenylphenol

4-amino-2-phenylphenol (PubChem CID 29595) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is 4-amino-2-phenylphenol.

Molecular Properties

Compound Name4-amino-2-phenylphenol
PubChem CID29595
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name4-amino-2-phenylphenol
SMILESNc1ccc(O)c(-c2ccccc2)c1
InChIInChI=1S/C12H11NO/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8,14H,13H2
InChIKeyOUIITAOCYATDMY-UHFFFAOYSA-N
XLogP2.64
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-phenylphenol?
The IUPAC name of 4-amino-2-phenylphenol (CID 29595) is 4-amino-2-phenylphenol.
What is the SMILES notation for 4-amino-2-phenylphenol?
The canonical SMILES for 4-amino-2-phenylphenol is Nc1ccc(O)c(-c2ccccc2)c1.
What is the InChIKey of 4-amino-2-phenylphenol?
The InChIKey is OUIITAOCYATDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8,14H,13H2.
What are the key properties of 4-amino-2-phenylphenol?
4-amino-2-phenylphenol has a molecular weight of 185.23 g/mol, XLogP of 2.64, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-phenylphenol is sourced from PubChem (CID 29595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).