2-amino-3,4,6-trimethylbenzene-5-id-1-ol;yttrium

C9H12NOY- — CID 59973165

IUPAC2-amino-3,4,6-trimethylbenzene-5-id-1-ol;yttrium
SMILESCc1[c-]c(C)c(O)c(N)c1C.[Y]
InChIInChI=1S/C9H12NO.Y/c1-5-4-6(2)9(11)8(10)7(5)3;/h11H,10H2,1-3H3;/q-1;
InChIKeySGAZPXARNAXEAI-UHFFFAOYSA-N
MW239.11 g/mol
LogP1.70
Rot. Bonds

About 2-amino-3,4,6-trimethylbenzene-5-id-1-ol;yttrium

2-amino-3,4,6-trimethylbenzene-5-id-1-ol;yttrium (PubChem CID 59973165) has the molecular formula C9H12NOY- and a molecular weight of 239.11 g/mol. Its IUPAC name is 2-amino-3,4,6-trimethylbenzene-5-id-1-ol;yttrium.

Molecular Properties

Compound Name2-amino-3,4,6-trimethylbenzene-5-id-1-ol;yttrium
PubChem CID59973165
Molecular FormulaC9H12NOY-
Molecular Weight239.11 g/mol
Exact Mass239.00
IUPAC Name2-amino-3,4,6-trimethylbenzene-5-id-1-ol;yttrium
SMILESCc1[c-]c(C)c(O)c(N)c1C.[Y]
InChIInChI=1S/C9H12NO.Y/c1-5-4-6(2)9(11)8(10)7(5)3;/h11H,10H2,1-3H3;/q-1;
InChIKeySGAZPXARNAXEAI-UHFFFAOYSA-N
XLogP1.70
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.11
LogP ≤ 51.70
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'}

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Related Compounds

2-Amino-4-methylbenzene-5-id-1-ol;yttrium
CID 57832769
4-Amino-2-methylbenzene-6-id-1-ol;yttrium
CID 57888499
2-Amino-4-methylbenzene-6-id-1-ol;yttrium
CID 58597155
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-dimethylbenzene-6-id-1-ol;yttrium
CID 60070095
(3Z,5Z)-3-amino-2-methylhepta-1,3,5-trien-4-ol
CID 88890672
(2E,4E)-4-amino-7-methylocta-2,4,7-trien-3-ol
CID 89010550
(2E,4E)-4-amino-6-methylhepta-2,4,6-trien-3-ol
CID 132032641
6-Aminocyclohexa-1,5-dien-1-ol;ethane
CID 142347493
4,6-Diamino-2-ethyl-3-methylbenzene-5-id-1-ol;osmium(1+)
CID 164117828
4-Amino-2,3-dimethylcyclobuta-1,3-dien-1-ol
CID 167209027

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,4,6-trimethylbenzene-5-id-1-ol;yttrium?
The IUPAC name of 2-amino-3,4,6-trimethylbenzene-5-id-1-ol;yttrium (CID 59973165) is 2-amino-3,4,6-trimethylbenzene-5-id-1-ol;yttrium.
What is the SMILES notation for 2-amino-3,4,6-trimethylbenzene-5-id-1-ol;yttrium?
The canonical SMILES for 2-amino-3,4,6-trimethylbenzene-5-id-1-ol;yttrium is Cc1[c-]c(C)c(O)c(N)c1C.[Y].
What is the InChIKey of 2-amino-3,4,6-trimethylbenzene-5-id-1-ol;yttrium?
The InChIKey is SGAZPXARNAXEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12NO.Y/c1-5-4-6(2)9(11)8(10)7(5)3;/h11H,10H2,1-3H3;/q-1;.
What are the key properties of 2-amino-3,4,6-trimethylbenzene-5-id-1-ol;yttrium?
2-amino-3,4,6-trimethylbenzene-5-id-1-ol;yttrium has a molecular weight of 239.11 g/mol, XLogP of 1.70, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,4,6-trimethylbenzene-5-id-1-ol;yttrium is sourced from PubChem (CID 59973165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).