2-(2-iodo-2-methylpropanoyl)oxybenzoic acid

C11H11IO4 — CID 154609479

IUPAC2-(2-iodo-2-methylpropanoyl)oxybenzoic acid
SMILESCC(C)(I)C(=O)Oc1ccccc1C(=O)O
InChIInChI=1S/C11H11IO4/c1-11(2,12)10(15)16-8-6-4-3-5-7(8)9(13)14/h3-6H,1-2H3,(H,13,14)
InChIKeyGEYHNFSYKPEURT-UHFFFAOYSA-N
MW334.11 g/mol
LogP2.50
Rot. Bonds3

About 2-(2-iodo-2-methylpropanoyl)oxybenzoic acid

2-(2-iodo-2-methylpropanoyl)oxybenzoic acid (PubChem CID 154609479) has the molecular formula C11H11IO4 and a molecular weight of 334.11 g/mol. Its IUPAC name is 2-(2-iodo-2-methylpropanoyl)oxybenzoic acid.

Molecular Properties

Compound Name2-(2-iodo-2-methylpropanoyl)oxybenzoic acid
PubChem CID154609479
Molecular FormulaC11H11IO4
Molecular Weight334.11 g/mol
Exact Mass333.97
IUPAC Name2-(2-iodo-2-methylpropanoyl)oxybenzoic acid
SMILESCC(C)(I)C(=O)Oc1ccccc1C(=O)O
InChIInChI=1S/C11H11IO4/c1-11(2,12)10(15)16-8-6-4-3-5-7(8)9(13)14/h3-6H,1-2H3,(H,13,14)
InChIKeyGEYHNFSYKPEURT-UHFFFAOYSA-N
XLogP2.50
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.11
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

potassium;2-acetyloxybenzoic acid;chloride
CID 161210106
carbonic acid;2-[(2-methylpropan-2-yl)oxy]benzoic acid
CID 137455638
2-acetyloxybenzoic acid;ethene
CID 67877309
2-(2-methylpropanoyloxy)benzoic acid
CID 54224926
2-pent-2-en-3-yloxybenzoic acid
CID 91304181
2-[2-(2-acetyloxybenzoyl)oxybenzoyl]oxybenzoic acid
CID 67421543
2-(2-phenylprop-2-enoyloxy)benzoic acid
CID 175331821
2-(2-methylprop-2-enoyloxy)benzoic acid;3-(2-methylprop-2-enoyloxy)benzoic acid
CID 118071852
2-acetyloxybenzoic acid;azane;ethanol;hydrate
CID 174981083
2-acetyloxybenzoic acid;(E)-but-2-enedioic acid
CID 135328306
2-[dibromo-(2-carboxyphenoxy)methoxy]benzoic acid
CID 142693324
1,1-difluoro-2-[4-(2-iodo-2-methylpropanoyl)oxynaphthalen-1-yl]oxy-2-oxoethanesulfonic acid
CID 168852817

Frequently Asked Questions

What is the IUPAC name of 2-(2-iodo-2-methylpropanoyl)oxybenzoic acid?
The IUPAC name of 2-(2-iodo-2-methylpropanoyl)oxybenzoic acid (CID 154609479) is 2-(2-iodo-2-methylpropanoyl)oxybenzoic acid.
What is the SMILES notation for 2-(2-iodo-2-methylpropanoyl)oxybenzoic acid?
The canonical SMILES for 2-(2-iodo-2-methylpropanoyl)oxybenzoic acid is CC(C)(I)C(=O)Oc1ccccc1C(=O)O.
What is the InChIKey of 2-(2-iodo-2-methylpropanoyl)oxybenzoic acid?
The InChIKey is GEYHNFSYKPEURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IO4/c1-11(2,12)10(15)16-8-6-4-3-5-7(8)9(13)14/h3-6H,1-2H3,(H,13,14).
What are the key properties of 2-(2-iodo-2-methylpropanoyl)oxybenzoic acid?
2-(2-iodo-2-methylpropanoyl)oxybenzoic acid has a molecular weight of 334.11 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iodo-2-methylpropanoyl)oxybenzoic acid is sourced from PubChem (CID 154609479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).