5-amino-2-(4-chlorophenyl)phenol

C12H10ClNO — CID 12067762

IUPAC5-amino-2-(4-chlorophenyl)phenol
SMILESNc1ccc(-c2ccc(Cl)cc2)c(O)c1
InChIInChI=1S/C12H10ClNO/c13-9-3-1-8(2-4-9)11-6-5-10(14)7-12(11)15/h1-7,15H,14H2
InChIKeyLFYHGCIOLWYCOM-UHFFFAOYSA-N
MW219.67 g/mol
LogP3.29
Rot. Bonds1

About 5-amino-2-(4-chlorophenyl)phenol

5-amino-2-(4-chlorophenyl)phenol (PubChem CID 12067762) has the molecular formula C12H10ClNO and a molecular weight of 219.67 g/mol. Its IUPAC name is 5-amino-2-(4-chlorophenyl)phenol.

Molecular Properties

Compound Name5-amino-2-(4-chlorophenyl)phenol
PubChem CID12067762
Molecular FormulaC12H10ClNO
Molecular Weight219.67 g/mol
Exact Mass219.05
IUPAC Name5-amino-2-(4-chlorophenyl)phenol
SMILESNc1ccc(-c2ccc(Cl)cc2)c(O)c1
InChIInChI=1S/C12H10ClNO/c13-9-3-1-8(2-4-9)11-6-5-10(14)7-12(11)15/h1-7,15H,14H2
InChIKeyLFYHGCIOLWYCOM-UHFFFAOYSA-N
XLogP3.29
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.67
LogP ≤ 53.29
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 5-amino-2-(4-chlorophenyl)phenol?
The IUPAC name of 5-amino-2-(4-chlorophenyl)phenol (CID 12067762) is 5-amino-2-(4-chlorophenyl)phenol.
What is the SMILES notation for 5-amino-2-(4-chlorophenyl)phenol?
The canonical SMILES for 5-amino-2-(4-chlorophenyl)phenol is Nc1ccc(-c2ccc(Cl)cc2)c(O)c1.
What is the InChIKey of 5-amino-2-(4-chlorophenyl)phenol?
The InChIKey is LFYHGCIOLWYCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO/c13-9-3-1-8(2-4-9)11-6-5-10(14)7-12(11)15/h1-7,15H,14H2.
What are the key properties of 5-amino-2-(4-chlorophenyl)phenol?
5-amino-2-(4-chlorophenyl)phenol has a molecular weight of 219.67 g/mol, XLogP of 3.29, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4-chlorophenyl)phenol is sourced from PubChem (CID 12067762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).