(2-butylphenyl)-(4-hydroxy-3,5-diiodophenyl)methanone

C17H16I2O2 — CID 174842319

IUPAC(2-butylphenyl)-(4-hydroxy-3,5-diiodophenyl)methanone
SMILESCCCCc1ccccc1C(=O)c1cc(I)c(O)c(I)c1
InChIInChI=1S/C17H16I2O2/c1-2-3-6-11-7-4-5-8-13(11)16(20)12-9-14(18)17(21)15(19)10-12/h4-5,7-10,21H,2-3,6H2,1H3
InChIKeyGOBAENBRGMHMDY-UHFFFAOYSA-N
MW506.12 g/mol
LogP5.18
Rot. Bonds5

About (2-butylphenyl)-(4-hydroxy-3,5-diiodophenyl)methanone

(2-butylphenyl)-(4-hydroxy-3,5-diiodophenyl)methanone (PubChem CID 174842319) has the molecular formula C17H16I2O2 and a molecular weight of 506.12 g/mol. Its IUPAC name is (2-butylphenyl)-(4-hydroxy-3,5-diiodophenyl)methanone.

Molecular Properties

Compound Name(2-butylphenyl)-(4-hydroxy-3,5-diiodophenyl)methanone
PubChem CID174842319
Molecular FormulaC17H16I2O2
Molecular Weight506.12 g/mol
Exact Mass505.92
IUPAC Name(2-butylphenyl)-(4-hydroxy-3,5-diiodophenyl)methanone
SMILESCCCCc1ccccc1C(=O)c1cc(I)c(O)c(I)c1
InChIInChI=1S/C17H16I2O2/c1-2-3-6-11-7-4-5-8-13(11)16(20)12-9-14(18)17(21)15(19)10-12/h4-5,7-10,21H,2-3,6H2,1H3
InChIKeyGOBAENBRGMHMDY-UHFFFAOYSA-N
XLogP5.18
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.12
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2-butylphenyl)-(4-hydroxy-3,5-diiodophenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-butylphenyl)-(4-hydroxy-3,5-diiodophenyl)methanone?
The IUPAC name of (2-butylphenyl)-(4-hydroxy-3,5-diiodophenyl)methanone (CID 174842319) is (2-butylphenyl)-(4-hydroxy-3,5-diiodophenyl)methanone.
What is the SMILES notation for (2-butylphenyl)-(4-hydroxy-3,5-diiodophenyl)methanone?
The canonical SMILES for (2-butylphenyl)-(4-hydroxy-3,5-diiodophenyl)methanone is CCCCc1ccccc1C(=O)c1cc(I)c(O)c(I)c1.
What is the InChIKey of (2-butylphenyl)-(4-hydroxy-3,5-diiodophenyl)methanone?
The InChIKey is GOBAENBRGMHMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16I2O2/c1-2-3-6-11-7-4-5-8-13(11)16(20)12-9-14(18)17(21)15(19)10-12/h4-5,7-10,21H,2-3,6H2,1H3.
What are the key properties of (2-butylphenyl)-(4-hydroxy-3,5-diiodophenyl)methanone?
(2-butylphenyl)-(4-hydroxy-3,5-diiodophenyl)methanone has a molecular weight of 506.12 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butylphenyl)-(4-hydroxy-3,5-diiodophenyl)methanone is sourced from PubChem (CID 174842319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).