3-amino-4-chlorophenol

C6H6ClNO — CID 5070078

IUPAC3-amino-4-chlorophenol
SMILESNc1cc(O)ccc1Cl
InChIInChI=1S/C6H6ClNO/c7-5-2-1-4(9)3-6(5)8/h1-3,9H,8H2
InChIKeyFWUALUHYKLDYAN-UHFFFAOYSA-N
MW143.57 g/mol
LogP1.63
Rot. Bonds

About 3-amino-4-chlorophenol

3-amino-4-chlorophenol (PubChem CID 5070078) has the molecular formula C6H6ClNO and a molecular weight of 143.57 g/mol. Its IUPAC name is 3-amino-4-chlorophenol.

Molecular Properties

Compound Name3-amino-4-chlorophenol
PubChem CID5070078
Molecular FormulaC6H6ClNO
Molecular Weight143.57 g/mol
Exact Mass143.01
IUPAC Name3-amino-4-chlorophenol
SMILESNc1cc(O)ccc1Cl
InChIInChI=1S/C6H6ClNO/c7-5-2-1-4(9)3-6(5)8/h1-3,9H,8H2
InChIKeyFWUALUHYKLDYAN-UHFFFAOYSA-N
XLogP1.63
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.57
LogP ≤ 51.63
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-amino-4-chlorophenol?
The IUPAC name of 3-amino-4-chlorophenol (CID 5070078) is 3-amino-4-chlorophenol.
What is the SMILES notation for 3-amino-4-chlorophenol?
The canonical SMILES for 3-amino-4-chlorophenol is Nc1cc(O)ccc1Cl.
What is the InChIKey of 3-amino-4-chlorophenol?
The InChIKey is FWUALUHYKLDYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNO/c7-5-2-1-4(9)3-6(5)8/h1-3,9H,8H2.
What are the key properties of 3-amino-4-chlorophenol?
3-amino-4-chlorophenol has a molecular weight of 143.57 g/mol, XLogP of 1.63, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chlorophenol is sourced from PubChem (CID 5070078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).