potassium 2-iodo-3,4,5-trimethylbenzoate

C10H10IKO2 — CID 141158453

IUPACpotassium 2-iodo-3,4,5-trimethylbenzoate
SMILESCc1cc(C(=O)[O-])c(I)c(C)c1C.[K+]
InChIInChI=1S/C10H11IO2.K/c1-5-4-8(10(12)13)9(11)7(3)6(5)2;/h4H,1-3H3,(H,12,13);/q;+1/p-1
InChIKeyOIWNLVVAYXUDAY-UHFFFAOYSA-M
MW328.19 g/mol
LogP-1.42
Rot. Bonds1

About potassium 2-iodo-3,4,5-trimethylbenzoate

potassium 2-iodo-3,4,5-trimethylbenzoate (PubChem CID 141158453) has the molecular formula C10H10IKO2 and a molecular weight of 328.19 g/mol. Its IUPAC name is potassium 2-iodo-3,4,5-trimethylbenzoate.

Molecular Properties

Compound Namepotassium 2-iodo-3,4,5-trimethylbenzoate
PubChem CID141158453
Molecular FormulaC10H10IKO2
Molecular Weight328.19 g/mol
Exact Mass327.94
IUPAC Namepotassium 2-iodo-3,4,5-trimethylbenzoate
SMILESCc1cc(C(=O)[O-])c(I)c(C)c1C.[K+]
InChIInChI=1S/C10H11IO2.K/c1-5-4-8(10(12)13)9(11)7(3)6(5)2;/h4H,1-3H3,(H,12,13);/q;+1/p-1
InChIKeyOIWNLVVAYXUDAY-UHFFFAOYSA-M
XLogP-1.42
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.19
LogP ≤ 5-1.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

sodium 2,3,4,5-tetramethylbenzoate
CID 139724708
(2-amino-3,4,5-trimethylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone;(2-iodo-3,4,5-trimethylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 161246878
indium(3+);tris(2,3,5-trimethylbenzoate)
CID 22604763
disodium;2-iodo-3-methyl-5-sulfinatobenzoate
CID 165455409
2-fluoro-5-iodo-3-methylbenzoate
CID 53249655
cadmium(2+);bis(2,3,5,6-tetramethylbenzoate)
CID 22604739
sodium 4-chloro-2,5-dimethylbenzoate
CID 141218473
5-iodo-2-methoxy-3-methylbenzoate
CID 131739020
potassium 2-iodo-3,4,5-triiodooxybenzoate
CID 88651490
1-(2,3-dihydroxy-4,5-dimethylphenyl)ethanone
CID 117278320
dipotassium;4-methylphthalate
CID 140576906
cesium 4,7-dimethyl-2,1,3-benzothiadiazole-5-carboxylate
CID 140605868

Frequently Asked Questions

What is the IUPAC name of potassium 2-iodo-3,4,5-trimethylbenzoate?
The IUPAC name of potassium 2-iodo-3,4,5-trimethylbenzoate (CID 141158453) is potassium 2-iodo-3,4,5-trimethylbenzoate.
What is the SMILES notation for potassium 2-iodo-3,4,5-trimethylbenzoate?
The canonical SMILES for potassium 2-iodo-3,4,5-trimethylbenzoate is Cc1cc(C(=O)[O-])c(I)c(C)c1C.[K+].
What is the InChIKey of potassium 2-iodo-3,4,5-trimethylbenzoate?
The InChIKey is OIWNLVVAYXUDAY-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H11IO2.K/c1-5-4-8(10(12)13)9(11)7(3)6(5)2;/h4H,1-3H3,(H,12,13);/q;+1/p-1.
What are the key properties of potassium 2-iodo-3,4,5-trimethylbenzoate?
potassium 2-iodo-3,4,5-trimethylbenzoate has a molecular weight of 328.19 g/mol, XLogP of -1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-iodo-3,4,5-trimethylbenzoate is sourced from PubChem (CID 141158453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).