2-[4-(diethylamino)-2-hydroxybenzoyl]benzoyl iodide

C18H18INO3 — CID 89216675

IUPAC2-[4-(diethylamino)-2-hydroxybenzoyl]benzoyl iodide
SMILESCCN(CC)c1ccc(C(=O)c2ccccc2C(=O)I)c(O)c1
InChIInChI=1S/C18H18INO3/c1-3-20(4-2)12-9-10-15(16(21)11-12)17(22)13-7-5-6-8-14(13)18(19)23/h5-11,21H,3-4H2,1-2H3
InChIKeyJYBJZANFILIDRW-UHFFFAOYSA-N
MW423.25 g/mol
LogP4.04
Rot. Bonds6

About 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoyl iodide

2-[4-(diethylamino)-2-hydroxybenzoyl]benzoyl iodide (PubChem CID 89216675) has the molecular formula C18H18INO3 and a molecular weight of 423.25 g/mol. Its IUPAC name is 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoyl iodide.

Molecular Properties

Compound Name2-[4-(diethylamino)-2-hydroxybenzoyl]benzoyl iodide
PubChem CID89216675
Molecular FormulaC18H18INO3
Molecular Weight423.25 g/mol
Exact Mass423.03
IUPAC Name2-[4-(diethylamino)-2-hydroxybenzoyl]benzoyl iodide
SMILESCCN(CC)c1ccc(C(=O)c2ccccc2C(=O)I)c(O)c1
InChIInChI=1S/C18H18INO3/c1-3-20(4-2)12-9-10-15(16(21)11-12)17(22)13-7-5-6-8-14(13)18(19)23/h5-11,21H,3-4H2,1-2H3
InChIKeyJYBJZANFILIDRW-UHFFFAOYSA-N
XLogP4.04
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.25
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoyl iodide?
The IUPAC name of 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoyl iodide (CID 89216675) is 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoyl iodide.
What is the SMILES notation for 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoyl iodide?
The canonical SMILES for 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoyl iodide is CCN(CC)c1ccc(C(=O)c2ccccc2C(=O)I)c(O)c1.
What is the InChIKey of 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoyl iodide?
The InChIKey is JYBJZANFILIDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18INO3/c1-3-20(4-2)12-9-10-15(16(21)11-12)17(22)13-7-5-6-8-14(13)18(19)23/h5-11,21H,3-4H2,1-2H3.
What are the key properties of 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoyl iodide?
2-[4-(diethylamino)-2-hydroxybenzoyl]benzoyl iodide has a molecular weight of 423.25 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoyl iodide is sourced from PubChem (CID 89216675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).