2-amino-5-methylbenzene-1,4-diol

C7H9NO2 — CID 14549398

IUPAC2-amino-5-methylbenzene-1,4-diol
SMILESCc1cc(O)c(N)cc1O
InChIInChI=1S/C7H9NO2/c1-4-2-7(10)5(8)3-6(4)9/h2-3,9-10H,8H2,1H3
InChIKeyUWVORFGFONZFRB-UHFFFAOYSA-N
MW139.15 g/mol
LogP0.99
Rot. Bonds

About 2-amino-5-methylbenzene-1,4-diol

2-amino-5-methylbenzene-1,4-diol (PubChem CID 14549398) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 2-amino-5-methylbenzene-1,4-diol.

Molecular Properties

Compound Name2-amino-5-methylbenzene-1,4-diol
PubChem CID14549398
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name2-amino-5-methylbenzene-1,4-diol
SMILESCc1cc(O)c(N)cc1O
InChIInChI=1S/C7H9NO2/c1-4-2-7(10)5(8)3-6(4)9/h2-3,9-10H,8H2,1H3
InChIKeyUWVORFGFONZFRB-UHFFFAOYSA-N
XLogP0.99
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-5-methylbenzene-1,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-diaminobenzene-1,4-diol;dihydrobromide
CID 70601230
5-amino-4-fluoro-2-methylphenol
CID 10154098
2-amino-5-methyl-4-nitrophenol
CID 12781867
2-amino-5-methyl-4-prop-2-enylphenol
CID 163979621
5-amino-4-methanimidoyl-2-methylphenol
CID 164586972
benzene-1,4-diamine;2,5-dimethylbenzene-1,4-diol;5-(3-hydroxy-4-methylphenyl)-2-methylphenol
CID 158570472
5-amino-2-chloro-4-methylphenol
CID 21428510
4-amino-5-(5-amino-2-hydroxy-4-methylphenyl)sulfanyl-2-methylphenol
CID 118867595
5-amino-4-(2-hydroxyanilino)-2-methylphenol
CID 57133652
4-fluoro-2,5-dimethylphenol
CID 22627623
2-amino-5-hydroxy-4-methylbenzonitrile;ethane
CID 143940980
2-amino-5-methyl-4-nonylphenol
CID 139643471

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methylbenzene-1,4-diol?
The IUPAC name of 2-amino-5-methylbenzene-1,4-diol (CID 14549398) is 2-amino-5-methylbenzene-1,4-diol.
What is the SMILES notation for 2-amino-5-methylbenzene-1,4-diol?
The canonical SMILES for 2-amino-5-methylbenzene-1,4-diol is Cc1cc(O)c(N)cc1O.
What is the InChIKey of 2-amino-5-methylbenzene-1,4-diol?
The InChIKey is UWVORFGFONZFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c1-4-2-7(10)5(8)3-6(4)9/h2-3,9-10H,8H2,1H3.
What are the key properties of 2-amino-5-methylbenzene-1,4-diol?
2-amino-5-methylbenzene-1,4-diol has a molecular weight of 139.15 g/mol, XLogP of 0.99, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methylbenzene-1,4-diol is sourced from PubChem (CID 14549398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).