(3-bromo-4-ethoxyphenyl)-(3-iodophenyl)methanone

C15H12BrIO2 — CID 113438012

IUPAC(3-bromo-4-ethoxyphenyl)-(3-iodophenyl)methanone
SMILESCCOc1ccc(C(=O)c2cccc(I)c2)cc1Br
InChIInChI=1S/C15H12BrIO2/c1-2-19-14-7-6-11(9-13(14)16)15(18)10-4-3-5-12(17)8-10/h3-9H,2H2,1H3
InChIKeyKDIUCFZUOFRJTK-UHFFFAOYSA-N
MW431.07 g/mol
LogP4.68
Rot. Bonds4

About (3-bromo-4-ethoxyphenyl)-(3-iodophenyl)methanone

(3-bromo-4-ethoxyphenyl)-(3-iodophenyl)methanone (PubChem CID 113438012) has the molecular formula C15H12BrIO2 and a molecular weight of 431.07 g/mol. Its IUPAC name is (3-bromo-4-ethoxyphenyl)-(3-iodophenyl)methanone.

Molecular Properties

Compound Name(3-bromo-4-ethoxyphenyl)-(3-iodophenyl)methanone
PubChem CID113438012
Molecular FormulaC15H12BrIO2
Molecular Weight431.07 g/mol
Exact Mass429.91
IUPAC Name(3-bromo-4-ethoxyphenyl)-(3-iodophenyl)methanone
SMILESCCOc1ccc(C(=O)c2cccc(I)c2)cc1Br
InChIInChI=1S/C15H12BrIO2/c1-2-19-14-7-6-11(9-13(14)16)15(18)10-4-3-5-12(17)8-10/h3-9H,2H2,1H3
InChIKeyKDIUCFZUOFRJTK-UHFFFAOYSA-N
XLogP4.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.07
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3-bromo-4-ethoxyphenyl)-(3-iodophenyl)methanone with MolForge

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

Launch Full Analysis

Related Compounds

(3-bromo-4-ethoxyphenyl)-(3-fluorophenyl)methanone
CID 104656786
(3-bromo-2-chlorophenyl)-(3-bromo-4-ethoxyphenyl)methanone
CID 104656941
(3-bromo-4-ethoxyphenyl)-(3-fluoro-4-methylphenyl)methanone
CID 104656819
(3-bromo-4-ethoxyphenyl)-(3-chloro-2-methylphenyl)methanone
CID 107096226
(3-bromo-4-ethoxyphenyl)-(2-bromo-3-fluorophenyl)methanone
CID 104656856
(3-amino-2-methylphenyl)-(3-bromo-4-ethoxyphenyl)methanone
CID 104662561
bis(3,4-diethoxyphenyl)methanone
CID 135325793
(2-amino-4,5-difluorophenyl)-(3-bromo-4-ethoxyphenyl)methanone
CID 104662551
(3-amino-4,5-dichlorophenyl)-(3-bromo-4-ethoxyphenyl)methanone
CID 104662563
1-(3-bromo-4-ethoxyphenyl)-2-methylpropan-1-one
CID 104656822
(3-bromo-4-ethoxyphenyl)-(2,5-dimethylphenyl)methanone
CID 104656758
(3-bromo-4-ethoxyphenyl)-(2-methylfuran-3-yl)methanone
CID 104656850

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-ethoxyphenyl)-(3-iodophenyl)methanone?
The IUPAC name of (3-bromo-4-ethoxyphenyl)-(3-iodophenyl)methanone (CID 113438012) is (3-bromo-4-ethoxyphenyl)-(3-iodophenyl)methanone.
What is the SMILES notation for (3-bromo-4-ethoxyphenyl)-(3-iodophenyl)methanone?
The canonical SMILES for (3-bromo-4-ethoxyphenyl)-(3-iodophenyl)methanone is CCOc1ccc(C(=O)c2cccc(I)c2)cc1Br.
What is the InChIKey of (3-bromo-4-ethoxyphenyl)-(3-iodophenyl)methanone?
The InChIKey is KDIUCFZUOFRJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrIO2/c1-2-19-14-7-6-11(9-13(14)16)15(18)10-4-3-5-12(17)8-10/h3-9H,2H2,1H3.
What are the key properties of (3-bromo-4-ethoxyphenyl)-(3-iodophenyl)methanone?
(3-bromo-4-ethoxyphenyl)-(3-iodophenyl)methanone has a molecular weight of 431.07 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-ethoxyphenyl)-(3-iodophenyl)methanone is sourced from PubChem (CID 113438012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).