(2-iodobenzoyl) 4-ethyl-2-iodobenzoate

C16H12I2O3 — CID 174936997

IUPAC(2-iodobenzoyl) 4-ethyl-2-iodobenzoate
SMILESCCc1ccc(C(=O)OC(=O)c2ccccc2I)c(I)c1
InChIInChI=1S/C16H12I2O3/c1-2-10-7-8-12(14(18)9-10)16(20)21-15(19)11-5-3-4-6-13(11)17/h3-9H,2H2,1H3
InChIKeyFIKSONILYOAFPQ-UHFFFAOYSA-N
MW506.08 g/mol
LogP4.46
Rot. Bonds3

About (2-iodobenzoyl) 4-ethyl-2-iodobenzoate

(2-iodobenzoyl) 4-ethyl-2-iodobenzoate (PubChem CID 174936997) has the molecular formula C16H12I2O3 and a molecular weight of 506.08 g/mol. Its IUPAC name is (2-iodobenzoyl) 4-ethyl-2-iodobenzoate.

Molecular Properties

Compound Name(2-iodobenzoyl) 4-ethyl-2-iodobenzoate
PubChem CID174936997
Molecular FormulaC16H12I2O3
Molecular Weight506.08 g/mol
Exact Mass505.89
IUPAC Name(2-iodobenzoyl) 4-ethyl-2-iodobenzoate
SMILESCCc1ccc(C(=O)OC(=O)c2ccccc2I)c(I)c1
InChIInChI=1S/C16H12I2O3/c1-2-10-7-8-12(14(18)9-10)16(20)21-15(19)11-5-3-4-6-13(11)17/h3-9H,2H2,1H3
InChIKeyFIKSONILYOAFPQ-UHFFFAOYSA-N
XLogP4.46
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.08
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(2,5-diethylbenzoyl) 2,5-diethylbenzoate
CID 150438529
(2-ethylbenzoyl) 2-ethylbenzoate
CID 15761038
(3,4-dichlorophenyl)methyl 2-iodobenzoate
CID 9291865
N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]-2-iodobenzamide
CID 1344733
(2-amino-2-oxoethyl) 2-iodobenzoate
CID 2509670
6-(2-iodobenzoyl)oxyhexyl 2-iodobenzoate
CID 4926782
(3-ethoxy-3-oxopropyl) 2-iodobenzoate
CID 119090059
(2-iodobenzoyl)oxyboronic acid
CID 134957148
phenyl 2-iodobenzoate
CID 11416063
[5-(diethylamino)-2-formylphenyl] 2-iodobenzoate
CID 4766734
CID 174739089
CID 174739089
tert-butyl 2-(4-ethyl-2-iodophenoxy)acetate
CID 86005684

Frequently Asked Questions

What is the IUPAC name of (2-iodobenzoyl) 4-ethyl-2-iodobenzoate?
The IUPAC name of (2-iodobenzoyl) 4-ethyl-2-iodobenzoate (CID 174936997) is (2-iodobenzoyl) 4-ethyl-2-iodobenzoate.
What is the SMILES notation for (2-iodobenzoyl) 4-ethyl-2-iodobenzoate?
The canonical SMILES for (2-iodobenzoyl) 4-ethyl-2-iodobenzoate is CCc1ccc(C(=O)OC(=O)c2ccccc2I)c(I)c1.
What is the InChIKey of (2-iodobenzoyl) 4-ethyl-2-iodobenzoate?
The InChIKey is FIKSONILYOAFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12I2O3/c1-2-10-7-8-12(14(18)9-10)16(20)21-15(19)11-5-3-4-6-13(11)17/h3-9H,2H2,1H3.
What are the key properties of (2-iodobenzoyl) 4-ethyl-2-iodobenzoate?
(2-iodobenzoyl) 4-ethyl-2-iodobenzoate has a molecular weight of 506.08 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-iodobenzoyl) 4-ethyl-2-iodobenzoate is sourced from PubChem (CID 174936997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).