1-(2-aminobenzene-5-id-1-yl)ethanol;yttrium

C8H10NOY- — CID 59094551

IUPAC1-(2-aminobenzene-5-id-1-yl)ethanol;yttrium
SMILESCC(O)c1c[c-]ccc1N.[Y]
InChIInChI=1S/C8H10NO.Y/c1-6(10)7-4-2-3-5-8(7)9;/h3-6,10H,9H2,1H3;/q-1;
InChIKeyFBQHGVODOGXSEC-UHFFFAOYSA-N
MW225.08 g/mol
LogP1.12
Rot. Bonds1

About 1-(2-aminobenzene-5-id-1-yl)ethanol;yttrium

1-(2-aminobenzene-5-id-1-yl)ethanol;yttrium (PubChem CID 59094551) has the molecular formula C8H10NOY- and a molecular weight of 225.08 g/mol. Its IUPAC name is 1-(2-aminobenzene-5-id-1-yl)ethanol;yttrium.

Molecular Properties

Compound Name1-(2-aminobenzene-5-id-1-yl)ethanol;yttrium
PubChem CID59094551
Molecular FormulaC8H10NOY-
Molecular Weight225.08 g/mol
Exact Mass224.98
IUPAC Name1-(2-aminobenzene-5-id-1-yl)ethanol;yttrium
SMILESCC(O)c1c[c-]ccc1N.[Y]
InChIInChI=1S/C8H10NO.Y/c1-6(10)7-4-2-3-5-8(7)9;/h3-6,10H,9H2,1H3;/q-1;
InChIKeyFBQHGVODOGXSEC-UHFFFAOYSA-N
XLogP1.12
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.08
LogP ≤ 51.12
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'}

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Related Compounds

6-Amino-6-methylcyclohexa-2,4-dien-1-ol
CID 19762736
2-Amino-3,6-dimethylcyclohexa-2,4-dien-1-ol
CID 20238553
3-Amino-6-methylidenecyclohexa-2,4-dien-1-ol
CID 20494140
4,6-Diamino-6-methylcyclohexa-2,4-dien-1-ol
CID 23619295
4-Amino-2,6-dimethylbenzene-5-id-1-ol;yttrium
CID 59839387
6,6-Diamino-3-methylcyclohexa-2,4-dien-1-ol
CID 67828413
6-Amino-3-ethylcyclohexa-2,4-dien-1-ol
CID 70212276
4-Aminocyclohexa-2,4-dien-1-ol
CID 70218402
4-Amino-3-methylcyclohexa-2,4-dien-1-ol
CID 89119619
(1R)-4-aminocyclohexa-2,4-dien-1-ol
CID 89474033
4-Amino-6-methylcyclohexa-2,4-dien-1-ol
CID 89639651
1,8-Diamino-2,3-dihydronaphthalene-2,7-diol
CID 89643628

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminobenzene-5-id-1-yl)ethanol;yttrium?
The IUPAC name of 1-(2-aminobenzene-5-id-1-yl)ethanol;yttrium (CID 59094551) is 1-(2-aminobenzene-5-id-1-yl)ethanol;yttrium.
What is the SMILES notation for 1-(2-aminobenzene-5-id-1-yl)ethanol;yttrium?
The canonical SMILES for 1-(2-aminobenzene-5-id-1-yl)ethanol;yttrium is CC(O)c1c[c-]ccc1N.[Y].
What is the InChIKey of 1-(2-aminobenzene-5-id-1-yl)ethanol;yttrium?
The InChIKey is FBQHGVODOGXSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10NO.Y/c1-6(10)7-4-2-3-5-8(7)9;/h3-6,10H,9H2,1H3;/q-1;.
What are the key properties of 1-(2-aminobenzene-5-id-1-yl)ethanol;yttrium?
1-(2-aminobenzene-5-id-1-yl)ethanol;yttrium has a molecular weight of 225.08 g/mol, XLogP of 1.12, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminobenzene-5-id-1-yl)ethanol;yttrium is sourced from PubChem (CID 59094551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).