4-methoxycarbonyloxy-3-methylbenzene-2-ide-1-carboxylic acid;yttrium

C10H9O5Y- — CID 58596100

IUPAC4-methoxycarbonyloxy-3-methylbenzene-2-ide-1-carboxylic acid;yttrium
SMILESCOC(=O)Oc1ccc(C(=O)O)[c-]c1C.[Y]
InChIInChI=1S/C10H9O5.Y/c1-6-5-7(9(11)12)3-4-8(6)15-10(13)14-2;/h3-4H,1-2H3,(H,11,12);/q-1;
InChIKeyDRZBHEUQAGCEKJ-UHFFFAOYSA-N
MW298.08 g/mol
LogP1.64
Rot. Bonds2

About 4-methoxycarbonyloxy-3-methylbenzene-2-ide-1-carboxylic acid;yttrium

4-methoxycarbonyloxy-3-methylbenzene-2-ide-1-carboxylic acid;yttrium (PubChem CID 58596100) has the molecular formula C10H9O5Y- and a molecular weight of 298.08 g/mol. Its IUPAC name is 4-methoxycarbonyloxy-3-methylbenzene-2-ide-1-carboxylic acid;yttrium.

Molecular Properties

Compound Name4-methoxycarbonyloxy-3-methylbenzene-2-ide-1-carboxylic acid;yttrium
PubChem CID58596100
Molecular FormulaC10H9O5Y-
Molecular Weight298.08 g/mol
Exact Mass297.95
IUPAC Name4-methoxycarbonyloxy-3-methylbenzene-2-ide-1-carboxylic acid;yttrium
SMILESCOC(=O)Oc1ccc(C(=O)O)[c-]c1C.[Y]
InChIInChI=1S/C10H9O5.Y/c1-6-5-7(9(11)12)3-4-8(6)15-10(13)14-2;/h3-4H,1-2H3,(H,11,12);/q-1;
InChIKeyDRZBHEUQAGCEKJ-UHFFFAOYSA-N
XLogP1.64
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.08
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 10059573
Cladobotrin IV
CID 9990689
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5-(Hydroxymethyl)-4-methoxy-3-methyl-6-prop-1-enylpyran-2-one
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5-(Hydroxymethyl)-6-(3-hydroxyprop-1-enyl)-4-methoxy-3-methylpyran-2-one
CID 85107067
6-Methyl-5-carbomethoxy-4-hydroxy-2-pyrone
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4,4,5-Trimethoxybenzoic acid
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Ethyl 6-hydroxy-2-methyl-6-(trifluoromethyl)pyran-3-carboxylate
CID 170661169
3-(4-Methoxy-3,5-dimethyl-2-oxo-2h-pyran-6-yl)-2-propenoic acid
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trans-2-Hydroxy-4-methoxycoumaric acid
CID 132451994
cis-2-Hydroxy-4-methoxycoumaric acid
CID 132452064
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CID 134903207

Frequently Asked Questions

What is the IUPAC name of 4-methoxycarbonyloxy-3-methylbenzene-2-ide-1-carboxylic acid;yttrium?
The IUPAC name of 4-methoxycarbonyloxy-3-methylbenzene-2-ide-1-carboxylic acid;yttrium (CID 58596100) is 4-methoxycarbonyloxy-3-methylbenzene-2-ide-1-carboxylic acid;yttrium.
What is the SMILES notation for 4-methoxycarbonyloxy-3-methylbenzene-2-ide-1-carboxylic acid;yttrium?
The canonical SMILES for 4-methoxycarbonyloxy-3-methylbenzene-2-ide-1-carboxylic acid;yttrium is COC(=O)Oc1ccc(C(=O)O)[c-]c1C.[Y].
What is the InChIKey of 4-methoxycarbonyloxy-3-methylbenzene-2-ide-1-carboxylic acid;yttrium?
The InChIKey is DRZBHEUQAGCEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9O5.Y/c1-6-5-7(9(11)12)3-4-8(6)15-10(13)14-2;/h3-4H,1-2H3,(H,11,12);/q-1;.
What are the key properties of 4-methoxycarbonyloxy-3-methylbenzene-2-ide-1-carboxylic acid;yttrium?
4-methoxycarbonyloxy-3-methylbenzene-2-ide-1-carboxylic acid;yttrium has a molecular weight of 298.08 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxycarbonyloxy-3-methylbenzene-2-ide-1-carboxylic acid;yttrium is sourced from PubChem (CID 58596100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).