4-aminophenol;hydrochloride

C6H8ClNO — CID 5828

IUPAC4-aminophenol;hydrochloride
SMILESCl.Nc1ccc(O)cc1
InChIInChI=1S/C6H7NO.ClH/c7-5-1-3-6(8)4-2-5;/h1-4,8H,7H2;1H
InChIKeyRVGOBWDGAVAVPJ-UHFFFAOYSA-N
MW145.59 g/mol
LogP1.40
Rot. Bonds

About 4-aminophenol;hydrochloride

4-aminophenol;hydrochloride (PubChem CID 5828) has the molecular formula C6H8ClNO and a molecular weight of 145.59 g/mol. Its IUPAC name is 4-aminophenol;hydrochloride.

Molecular Properties

Compound Name4-aminophenol;hydrochloride
PubChem CID5828
Molecular FormulaC6H8ClNO
Molecular Weight145.59 g/mol
Exact Mass145.03
IUPAC Name4-aminophenol;hydrochloride
SMILESCl.Nc1ccc(O)cc1
InChIInChI=1S/C6H7NO.ClH/c7-5-1-3-6(8)4-2-5;/h1-4,8H,7H2;1H
InChIKeyRVGOBWDGAVAVPJ-UHFFFAOYSA-N
XLogP1.40
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.59
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'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-aminophenol;hydrochloride?
The IUPAC name of 4-aminophenol;hydrochloride (CID 5828) is 4-aminophenol;hydrochloride.
What is the SMILES notation for 4-aminophenol;hydrochloride?
The canonical SMILES for 4-aminophenol;hydrochloride is Cl.Nc1ccc(O)cc1.
What is the InChIKey of 4-aminophenol;hydrochloride?
The InChIKey is RVGOBWDGAVAVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO.ClH/c7-5-1-3-6(8)4-2-5;/h1-4,8H,7H2;1H.
What are the key properties of 4-aminophenol;hydrochloride?
4-aminophenol;hydrochloride has a molecular weight of 145.59 g/mol, XLogP of 1.40, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminophenol;hydrochloride is sourced from PubChem (CID 5828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).