4-amino-3-methylphenol

C7H9NO — CID 17819

IUPAC4-amino-3-methylphenol
SMILESCc1cc(O)ccc1N
InChIInChI=1S/C7H9NO/c1-5-4-6(9)2-3-7(5)8/h2-4,9H,8H2,1H3
InChIKeyQGNGOGOOPUYKMC-UHFFFAOYSA-N
MW123.15 g/mol
LogP1.28
Rot. Bonds

About 4-amino-3-methylphenol

4-amino-3-methylphenol (PubChem CID 17819) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 4-amino-3-methylphenol.

Molecular Properties

Compound Name4-amino-3-methylphenol
PubChem CID17819
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name4-amino-3-methylphenol
SMILESCc1cc(O)ccc1N
InChIInChI=1S/C7H9NO/c1-5-4-6(9)2-3-7(5)8/h2-4,9H,8H2,1H3
InChIKeyQGNGOGOOPUYKMC-UHFFFAOYSA-N
XLogP1.28
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-Aminophenol
CID 403
4-Nitro-3-trifluoromethylphenol
CID 6931
3-Methyl-4-nitrophenol
CID 17412
2-Amino-5-methylphenol
CID 76082
4-Aminophenol hydrochloride
CID 5828
4-Amino-3,5-dimethylphenol
CID 76543
2-Methyl-4-methoxyaniline
CID 7610
Aminofenitrothion
CID 25843
2-Amino-4-methylphenol
CID 7264
1-Amino-4-naphthol
CID 17815
5-Amino-2-hydroxytoluene
CID 76081
2,2,4-Trimethyl-1,2-dihydro-6-quinolinol
CID 599799

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methylphenol?
The IUPAC name of 4-amino-3-methylphenol (CID 17819) is 4-amino-3-methylphenol.
What is the SMILES notation for 4-amino-3-methylphenol?
The canonical SMILES for 4-amino-3-methylphenol is Cc1cc(O)ccc1N.
What is the InChIKey of 4-amino-3-methylphenol?
The InChIKey is QGNGOGOOPUYKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c1-5-4-6(9)2-3-7(5)8/h2-4,9H,8H2,1H3.
What are the key properties of 4-amino-3-methylphenol?
4-amino-3-methylphenol has a molecular weight of 123.15 g/mol, XLogP of 1.28, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methylphenol is sourced from PubChem (CID 17819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).