2-amino-4-methylbenzene-6-id-1-ol;yttrium

C7H8NOY- — CID 58597155

IUPAC2-amino-4-methylbenzene-6-id-1-ol;yttrium
SMILESCc1c[c-]c(O)c(N)c1.[Y]
InChIInChI=1S/C7H8NO.Y/c1-5-2-3-7(9)6(8)4-5;/h2,4,9H,8H2,1H3;/q-1;
InChIKeyFVXARXRHFFUXGS-UHFFFAOYSA-N
MW211.05 g/mol
LogP1.08
Rot. Bonds

About 2-amino-4-methylbenzene-6-id-1-ol;yttrium

2-amino-4-methylbenzene-6-id-1-ol;yttrium (PubChem CID 58597155) has the molecular formula C7H8NOY- and a molecular weight of 211.05 g/mol. Its IUPAC name is 2-amino-4-methylbenzene-6-id-1-ol;yttrium.

Molecular Properties

Compound Name2-amino-4-methylbenzene-6-id-1-ol;yttrium
PubChem CID58597155
Molecular FormulaC7H8NOY-
Molecular Weight211.05 g/mol
Exact Mass210.97
IUPAC Name2-amino-4-methylbenzene-6-id-1-ol;yttrium
SMILESCc1c[c-]c(O)c(N)c1.[Y]
InChIInChI=1S/C7H8NO.Y/c1-5-2-3-7(9)6(8)4-5;/h2,4,9H,8H2,1H3;/q-1;
InChIKeyFVXARXRHFFUXGS-UHFFFAOYSA-N
XLogP1.08
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.05
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-amino-4-methylbenzene-6-id-1-ol;yttrium 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

3-Amino-3-fluoro-6-methylcyclohexa-1,5-dien-1-ol
CID 69205426
5-Amino-2-methylcyclohexa-1,5-dien-1-ol
CID 23212600
2-Amino-4-methylbenzene-5-id-1-ol;yttrium
CID 57832769
4-Amino-2-methylbenzene-6-id-1-ol;yttrium
CID 57888499
4-Amino-2,6-dimethylbenzene-5-id-1-ol;yttrium
CID 59839387
2-Amino-3,4,6-trimethylbenzene-5-id-1-ol;bis(yttrium)
CID 59973164
2-Amino-3,4,6-trimethylbenzene-5-id-1-ol;yttrium
CID 59973165
2-Amino-3,4-dimethylbenzene-6-id-1-ol;yttrium
CID 60070095
2-Amino-4-propan-2-ylidenecyclohexa-1,5-dien-1-ol
CID 68144324
3-Amino-6-methylidenecyclohexa-1,3-dien-1-ol
CID 70526466
(3E,5Z)-6-amino-2,4-dimethylhepta-1,3,5-trien-3-ol
CID 88226427
(2Z,4Z,6E)-2-amino-4,5-dimethylocta-2,4,6-trien-3-ol
CID 88566743

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methylbenzene-6-id-1-ol;yttrium?
The IUPAC name of 2-amino-4-methylbenzene-6-id-1-ol;yttrium (CID 58597155) is 2-amino-4-methylbenzene-6-id-1-ol;yttrium.
What is the SMILES notation for 2-amino-4-methylbenzene-6-id-1-ol;yttrium?
The canonical SMILES for 2-amino-4-methylbenzene-6-id-1-ol;yttrium is Cc1c[c-]c(O)c(N)c1.[Y].
What is the InChIKey of 2-amino-4-methylbenzene-6-id-1-ol;yttrium?
The InChIKey is FVXARXRHFFUXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8NO.Y/c1-5-2-3-7(9)6(8)4-5;/h2,4,9H,8H2,1H3;/q-1;.
What are the key properties of 2-amino-4-methylbenzene-6-id-1-ol;yttrium?
2-amino-4-methylbenzene-6-id-1-ol;yttrium has a molecular weight of 211.05 g/mol, XLogP of 1.08, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methylbenzene-6-id-1-ol;yttrium is sourced from PubChem (CID 58597155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).