2-(2-methylbenzene-4-id-1-yl)acetic acid;yttrium

C9H9O2Y- — CID 58913104

IUPAC2-(2-methylbenzene-4-id-1-yl)acetic acid;yttrium
SMILESCc1c[c-]ccc1CC(=O)O.[Y]
InChIInChI=1S/C9H9O2.Y/c1-7-4-2-3-5-8(7)6-9(10)11;/h3-5H,6H2,1H3,(H,10,11);/q-1;
InChIKeyMZHNSAWFVNUZPA-UHFFFAOYSA-N
MW238.07 g/mol
LogP1.42
Rot. Bonds2

About 2-(2-methylbenzene-4-id-1-yl)acetic acid;yttrium

2-(2-methylbenzene-4-id-1-yl)acetic acid;yttrium (PubChem CID 58913104) has the molecular formula C9H9O2Y- and a molecular weight of 238.07 g/mol. Its IUPAC name is 2-(2-methylbenzene-4-id-1-yl)acetic acid;yttrium.

Molecular Properties

Compound Name2-(2-methylbenzene-4-id-1-yl)acetic acid;yttrium
PubChem CID58913104
Molecular FormulaC9H9O2Y-
Molecular Weight238.07 g/mol
Exact Mass237.97
IUPAC Name2-(2-methylbenzene-4-id-1-yl)acetic acid;yttrium
SMILESCc1c[c-]ccc1CC(=O)O.[Y]
InChIInChI=1S/C9H9O2.Y/c1-7-4-2-3-5-8(7)6-9(10)11;/h3-5H,6H2,1H3,(H,10,11);/q-1;
InChIKeyMZHNSAWFVNUZPA-UHFFFAOYSA-N
XLogP1.42
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.07
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

carbanide;1-(2-methylbenzene-4-id-1-yl)ethanone;yttrium
CID 58533651
2-(2-methylphenyl)acetic acid
CID 67440217
carbanide;ethane;1-(2-methylbenzene-4-id-1-yl)ethanone;yttrium
CID 158450240
3,7-dimethyl-6-[(2-methylbenzene-4-id-1-yl)methyl]-[1,2]oxazolo[4,3-b]pyridine-5-carboxylic acid;yttrium
CID 59636568
2-[4-(carboxymethyl)-2,5-dimethylphenyl]acetic acid
CID 658274
dichloromethane;2-(2-methylphenyl)acetic acid
CID 174962889
2-(2,3-dichloro-4-methylphenyl)acetic acid
CID 119014032
2-(4-fluoro-2-methylphenyl)acetic acid
CID 5016950
3-(3-methyl-4-pyridinyl)propanoic acid
CID 66322322
1-chloro-2-methylbenzene-5-ide;yttrium
CID 59141126
2-(3-chloro-2-methyl-4-pyridinyl)acetic acid
CID 126972308
2-(3-chloro-2,6-dimethylphenyl)acetic acid
CID 18401133

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbenzene-4-id-1-yl)acetic acid;yttrium?
The IUPAC name of 2-(2-methylbenzene-4-id-1-yl)acetic acid;yttrium (CID 58913104) is 2-(2-methylbenzene-4-id-1-yl)acetic acid;yttrium.
What is the SMILES notation for 2-(2-methylbenzene-4-id-1-yl)acetic acid;yttrium?
The canonical SMILES for 2-(2-methylbenzene-4-id-1-yl)acetic acid;yttrium is Cc1c[c-]ccc1CC(=O)O.[Y].
What is the InChIKey of 2-(2-methylbenzene-4-id-1-yl)acetic acid;yttrium?
The InChIKey is MZHNSAWFVNUZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9O2.Y/c1-7-4-2-3-5-8(7)6-9(10)11;/h3-5H,6H2,1H3,(H,10,11);/q-1;.
What are the key properties of 2-(2-methylbenzene-4-id-1-yl)acetic acid;yttrium?
2-(2-methylbenzene-4-id-1-yl)acetic acid;yttrium has a molecular weight of 238.07 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbenzene-4-id-1-yl)acetic acid;yttrium is sourced from PubChem (CID 58913104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).