2-hydroxy-3-(4-methylbenzene-5-id-1-yl)propanoic acid;yttrium

C10H11O3Y- — CID 59260959

IUPAC2-hydroxy-3-(4-methylbenzene-5-id-1-yl)propanoic acid;yttrium
SMILESCc1[c-]cc(CC(O)C(=O)O)cc1.[Y]
InChIInChI=1S/C10H11O3.Y/c1-7-2-4-8(5-3-7)6-9(11)10(12)13;/h2,4-5,9,11H,6H2,1H3,(H,12,13);/q-1;
InChIKeyNSWGVQONBAUBPB-UHFFFAOYSA-N
MW268.10 g/mol
LogP0.78
Rot. Bonds3

About 2-hydroxy-3-(4-methylbenzene-5-id-1-yl)propanoic acid;yttrium

2-hydroxy-3-(4-methylbenzene-5-id-1-yl)propanoic acid;yttrium (PubChem CID 59260959) has the molecular formula C10H11O3Y- and a molecular weight of 268.10 g/mol. Its IUPAC name is 2-hydroxy-3-(4-methylbenzene-5-id-1-yl)propanoic acid;yttrium.

Molecular Properties

Compound Name2-hydroxy-3-(4-methylbenzene-5-id-1-yl)propanoic acid;yttrium
PubChem CID59260959
Molecular FormulaC10H11O3Y-
Molecular Weight268.10 g/mol
Exact Mass267.98
IUPAC Name2-hydroxy-3-(4-methylbenzene-5-id-1-yl)propanoic acid;yttrium
SMILESCc1[c-]cc(CC(O)C(=O)O)cc1.[Y]
InChIInChI=1S/C10H11O3.Y/c1-7-2-4-8(5-3-7)6-9(11)10(12)13;/h2,4-5,9,11H,6H2,1H3,(H,12,13);/q-1;
InChIKeyNSWGVQONBAUBPB-UHFFFAOYSA-N
XLogP0.78
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.10
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(4-methylbenzene-5-id-1-yl)propanoic acid;yttrium?
The IUPAC name of 2-hydroxy-3-(4-methylbenzene-5-id-1-yl)propanoic acid;yttrium (CID 59260959) is 2-hydroxy-3-(4-methylbenzene-5-id-1-yl)propanoic acid;yttrium.
What is the SMILES notation for 2-hydroxy-3-(4-methylbenzene-5-id-1-yl)propanoic acid;yttrium?
The canonical SMILES for 2-hydroxy-3-(4-methylbenzene-5-id-1-yl)propanoic acid;yttrium is Cc1[c-]cc(CC(O)C(=O)O)cc1.[Y].
What is the InChIKey of 2-hydroxy-3-(4-methylbenzene-5-id-1-yl)propanoic acid;yttrium?
The InChIKey is NSWGVQONBAUBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11O3.Y/c1-7-2-4-8(5-3-7)6-9(11)10(12)13;/h2,4-5,9,11H,6H2,1H3,(H,12,13);/q-1;.
What are the key properties of 2-hydroxy-3-(4-methylbenzene-5-id-1-yl)propanoic acid;yttrium?
2-hydroxy-3-(4-methylbenzene-5-id-1-yl)propanoic acid;yttrium has a molecular weight of 268.10 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(4-methylbenzene-5-id-1-yl)propanoic acid;yttrium is sourced from PubChem (CID 59260959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).