3-(4-aminophenyl)phenol

C12H11NO — CID 2756363

IUPAC3-(4-aminophenyl)phenol
SMILESNc1ccc(-c2cccc(O)c2)cc1
InChIInChI=1S/C12H11NO/c13-11-6-4-9(5-7-11)10-2-1-3-12(14)8-10/h1-8,14H,13H2
InChIKeyQYWZHZKOIPJCKM-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.64
Rot. Bonds1

About 3-(4-aminophenyl)phenol

3-(4-aminophenyl)phenol (PubChem CID 2756363) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is 3-(4-aminophenyl)phenol.

Molecular Properties

Compound Name3-(4-aminophenyl)phenol
PubChem CID2756363
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name3-(4-aminophenyl)phenol
SMILESNc1ccc(-c2cccc(O)c2)cc1
InChIInChI=1S/C12H11NO/c13-11-6-4-9(5-7-11)10-2-1-3-12(14)8-10/h1-8,14H,13H2
InChIKeyQYWZHZKOIPJCKM-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'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)phenol?
The IUPAC name of 3-(4-aminophenyl)phenol (CID 2756363) is 3-(4-aminophenyl)phenol.
What is the SMILES notation for 3-(4-aminophenyl)phenol?
The canonical SMILES for 3-(4-aminophenyl)phenol is Nc1ccc(-c2cccc(O)c2)cc1.
What is the InChIKey of 3-(4-aminophenyl)phenol?
The InChIKey is QYWZHZKOIPJCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO/c13-11-6-4-9(5-7-11)10-2-1-3-12(14)8-10/h1-8,14H,13H2.
What are the key properties of 3-(4-aminophenyl)phenol?
3-(4-aminophenyl)phenol 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 3-(4-aminophenyl)phenol is sourced from PubChem (CID 2756363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).