argon;methyl 2-hydroxy-4-iodobenzoate

C8H7ArIO3 — CID 159067231

IUPACargon;methyl 2-hydroxy-4-iodobenzoate
SMILESCOC(=O)c1ccc(I)cc1O.[Ar]
InChIInChI=1S/C8H7IO3.Ar/c1-12-8(11)6-3-2-5(9)4-7(6)10;/h2-4,10H,1H3;
InChIKeyJZFBFNFMINAOSZ-UHFFFAOYSA-N
MW317.99 g/mol
LogP1.78
Rot. Bonds1

About argon;methyl 2-hydroxy-4-iodobenzoate

argon;methyl 2-hydroxy-4-iodobenzoate (PubChem CID 159067231) has the molecular formula C8H7ArIO3 and a molecular weight of 317.99 g/mol. Its IUPAC name is argon;methyl 2-hydroxy-4-iodobenzoate.

Molecular Properties

Compound Nameargon;methyl 2-hydroxy-4-iodobenzoate
PubChem CID159067231
Molecular FormulaC8H7ArIO3
Molecular Weight317.99 g/mol
Exact Mass317.91
IUPAC Nameargon;methyl 2-hydroxy-4-iodobenzoate
SMILESCOC(=O)c1ccc(I)cc1O.[Ar]
InChIInChI=1S/C8H7IO3.Ar/c1-12-8(11)6-3-2-5(9)4-7(6)10;/h2-4,10H,1H3;
InChIKeyJZFBFNFMINAOSZ-UHFFFAOYSA-N
XLogP1.78
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.99
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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(2,4-dimethylphenyl)methanol;1-ethyl-2,4-dimethylbenzene;(4-iodo-2-methylphenyl)methanol;methyl 2-hydroxy-4-iodobenzoate;methyl 4-iodo-2-methylbenzoate
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methyl 4-chlorosulfanyl-2-hydroxybenzoate
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3-silylpropyl 2-hydroxy-4-iodobenzoate
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methyl 2-(aminomethyl)-5-iodobenzoate
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methyl 2-hydroxy-4-sulfooxybenzoate
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Frequently Asked Questions

What is the IUPAC name of argon;methyl 2-hydroxy-4-iodobenzoate?
The IUPAC name of argon;methyl 2-hydroxy-4-iodobenzoate (CID 159067231) is argon;methyl 2-hydroxy-4-iodobenzoate.
What is the SMILES notation for argon;methyl 2-hydroxy-4-iodobenzoate?
The canonical SMILES for argon;methyl 2-hydroxy-4-iodobenzoate is COC(=O)c1ccc(I)cc1O.[Ar].
What is the InChIKey of argon;methyl 2-hydroxy-4-iodobenzoate?
The InChIKey is JZFBFNFMINAOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7IO3.Ar/c1-12-8(11)6-3-2-5(9)4-7(6)10;/h2-4,10H,1H3;.
What are the key properties of argon;methyl 2-hydroxy-4-iodobenzoate?
argon;methyl 2-hydroxy-4-iodobenzoate has a molecular weight of 317.99 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for argon;methyl 2-hydroxy-4-iodobenzoate is sourced from PubChem (CID 159067231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).