3-aminophenol

C6H7NO — CID 11568

IUPAC3-aminophenol
SMILESNc1cccc(O)c1
InChIInChI=1S/C6H7NO/c7-5-2-1-3-6(8)4-5/h1-4,8H,7H2
InChIKeyCWLKGDAVCFYWJK-UHFFFAOYSA-N
MW109.13 g/mol
LogP0.97
Rot. Bonds

About 3-aminophenol

3-aminophenol (PubChem CID 11568) has the molecular formula C6H7NO and a molecular weight of 109.13 g/mol. Its IUPAC name is 3-aminophenol.

Molecular Properties

Compound Name3-aminophenol
PubChem CID11568
Molecular FormulaC6H7NO
Molecular Weight109.13 g/mol
Exact Mass109.05
IUPAC Name3-aminophenol
SMILESNc1cccc(O)c1
InChIInChI=1S/C6H7NO/c7-5-2-1-3-6(8)4-5/h1-4,8H,7H2
InChIKeyCWLKGDAVCFYWJK-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-Aminophenol
CID 403
2-Aminophenol
CID 5801
3-Methoxyaniline
CID 10824
3-Nitrophenol
CID 11137
5-Amino-2-methylphenol
CID 17818
4-Aminophenol hydrochloride
CID 5828
3-(Dimethylamino)phenol
CID 7421
3-Hydroxy-N-phenylaniline
CID 7546
Catecholamine
CID 189460
p-ARSANILIC ACID, 2-HYDROXY-
CID 22773
3-Ethylaminophenol
CID 578991
3-Amino-4-chlorophenol
CID 5070078

Frequently Asked Questions

What is the IUPAC name of 3-aminophenol?
The IUPAC name of 3-aminophenol (CID 11568) is 3-aminophenol.
What is the SMILES notation for 3-aminophenol?
The canonical SMILES for 3-aminophenol is Nc1cccc(O)c1.
What is the InChIKey of 3-aminophenol?
The InChIKey is CWLKGDAVCFYWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO/c7-5-2-1-3-6(8)4-5/h1-4,8H,7H2.
What are the key properties of 3-aminophenol?
3-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 3-aminophenol is sourced from PubChem (CID 11568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).