4-aminophenol

C6H7NO — CID 403

IUPAC4-aminophenol
SMILESNc1ccc(O)cc1
InChIInChI=1S/C6H7NO/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H2
InChIKeyPLIKAWJENQZMHA-UHFFFAOYSA-N
MW109.13 g/mol
LogP0.97
Rot. Bonds

About 4-aminophenol

4-aminophenol (PubChem CID 403) has the molecular formula C6H7NO and a molecular weight of 109.13 g/mol. Its IUPAC name is 4-aminophenol.

Molecular Properties

Compound Name4-aminophenol
PubChem CID403
Molecular FormulaC6H7NO
Molecular Weight109.13 g/mol
Exact Mass109.05
IUPAC Name4-aminophenol
SMILESNc1ccc(O)cc1
InChIInChI=1S/C6H7NO/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H2
InChIKeyPLIKAWJENQZMHA-UHFFFAOYSA-N
XLogP0.97
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 50.97
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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Related Compounds

4-Nitrophenol
CID 980
3-Aminophenol
CID 11568
2-Aminophenol
CID 5801
n-Methyl-p-aminophenol
CID 5931
4-Hydroxyazobenzene
CID 15529
4-Hydroxydiphenylamine
CID 31208
4-Nitrosophenol
CID 7729
2,4-Diaminophenol hydrochloride
CID 8715
4-Aminophenol hydrochloride
CID 5828
4-(Dimethylamino)phenol
CID 22174
4-Amino-m-cresol
CID 17819
Oxophenarsine
CID 10845

Frequently Asked Questions

What is the IUPAC name of 4-aminophenol?
The IUPAC name of 4-aminophenol (CID 403) is 4-aminophenol.
What is the SMILES notation for 4-aminophenol?
The canonical SMILES for 4-aminophenol is Nc1ccc(O)cc1.
What is the InChIKey of 4-aminophenol?
The InChIKey is PLIKAWJENQZMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H2.
What are the key properties of 4-aminophenol?
4-aminophenol has a molecular weight of 109.13 g/mol, XLogP of 0.97, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminophenol is sourced from PubChem (CID 403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).