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

C8H10NOY- — CID 59839387

IUPAC4-amino-2,6-dimethylbenzene-5-id-1-ol;yttrium
SMILESCc1[c-]c(N)cc(C)c1O.[Y]
InChIInChI=1S/C8H10NO.Y/c1-5-3-7(9)4-6(2)8(5)10;/h3,10H,9H2,1-2H3;/q-1;
InChIKeyQCOGBOBPPMSGEV-UHFFFAOYSA-N
MW225.08 g/mol
LogP1.39
Rot. Bonds

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

4-amino-2,6-dimethylbenzene-5-id-1-ol;yttrium (PubChem CID 59839387) has the molecular formula C8H10NOY- and a molecular weight of 225.08 g/mol. Its IUPAC name is 4-amino-2,6-dimethylbenzene-5-id-1-ol;yttrium.

Molecular Properties

Compound Name4-amino-2,6-dimethylbenzene-5-id-1-ol;yttrium
PubChem CID59839387
Molecular FormulaC8H10NOY-
Molecular Weight225.08 g/mol
Exact Mass224.98
IUPAC Name4-amino-2,6-dimethylbenzene-5-id-1-ol;yttrium
SMILESCc1[c-]c(N)cc(C)c1O.[Y]
InChIInChI=1S/C8H10NO.Y/c1-5-3-7(9)4-6(2)8(5)10;/h3,10H,9H2,1-2H3;/q-1;
InChIKeyQCOGBOBPPMSGEV-UHFFFAOYSA-N
XLogP1.39
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.08
LogP ≤ 51.39
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': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

3-Amino-3-fluoro-6-methylcyclohexa-1,5-dien-1-ol
CID 69205426
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
1-(2-Aminobenzene-5-id-1-yl)ethanol;yttrium
CID 59094551
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 4-amino-2,6-dimethylbenzene-5-id-1-ol;yttrium?
The IUPAC name of 4-amino-2,6-dimethylbenzene-5-id-1-ol;yttrium (CID 59839387) is 4-amino-2,6-dimethylbenzene-5-id-1-ol;yttrium.
What is the SMILES notation for 4-amino-2,6-dimethylbenzene-5-id-1-ol;yttrium?
The canonical SMILES for 4-amino-2,6-dimethylbenzene-5-id-1-ol;yttrium is Cc1[c-]c(N)cc(C)c1O.[Y].
What is the InChIKey of 4-amino-2,6-dimethylbenzene-5-id-1-ol;yttrium?
The InChIKey is QCOGBOBPPMSGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10NO.Y/c1-5-3-7(9)4-6(2)8(5)10;/h3,10H,9H2,1-2H3;/q-1;.
What are the key properties of 4-amino-2,6-dimethylbenzene-5-id-1-ol;yttrium?
4-amino-2,6-dimethylbenzene-5-id-1-ol;yttrium has a molecular weight of 225.08 g/mol, XLogP of 1.39, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dimethylbenzene-5-id-1-ol;yttrium is sourced from PubChem (CID 59839387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).