(2,5-dimethoxyphenyl)-(2-iodophenyl)methanone

C15H13IO3 — CID 15888023

IUPAC(2,5-dimethoxyphenyl)-(2-iodophenyl)methanone
SMILESCOc1ccc(OC)c(C(=O)c2ccccc2I)c1
InChIInChI=1S/C15H13IO3/c1-18-10-7-8-14(19-2)12(9-10)15(17)11-5-3-4-6-13(11)16/h3-9H,1-2H3
InChIKeyDTOUHHKHNJVMFJ-UHFFFAOYSA-N
MW368.17 g/mol
LogP3.54
Rot. Bonds4

About (2,5-dimethoxyphenyl)-(2-iodophenyl)methanone

(2,5-dimethoxyphenyl)-(2-iodophenyl)methanone (PubChem CID 15888023) has the molecular formula C15H13IO3 and a molecular weight of 368.17 g/mol. Its IUPAC name is (2,5-dimethoxyphenyl)-(2-iodophenyl)methanone.

Molecular Properties

Compound Name(2,5-dimethoxyphenyl)-(2-iodophenyl)methanone
PubChem CID15888023
Molecular FormulaC15H13IO3
Molecular Weight368.17 g/mol
Exact Mass367.99
IUPAC Name(2,5-dimethoxyphenyl)-(2-iodophenyl)methanone
SMILESCOc1ccc(OC)c(C(=O)c2ccccc2I)c1
InChIInChI=1S/C15H13IO3/c1-18-10-7-8-14(19-2)12(9-10)15(17)11-5-3-4-6-13(11)16/h3-9H,1-2H3
InChIKeyDTOUHHKHNJVMFJ-UHFFFAOYSA-N
XLogP3.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.17
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2,5-dimethoxyphenyl)-(2-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

(2-chlorophenyl)-(2,5-dimethoxyphenyl)methanone
CID 623894
(2,5-dimethoxyphenyl)-naphthalen-1-ylmethanone
CID 146006285
(2,3-dimethoxyphenyl)-(2,5-dimethoxyphenyl)methanone
CID 69347574
(2-iodophenyl)-(6-methoxynaphthalen-2-yl)methanone
CID 63491327
(2-iodophenyl)-(4-methoxyphenyl)methanone
CID 43160499
(4,5-dimethoxy-2-methylphenyl)-(2-iodophenyl)methanone
CID 43626525
(2,5-dimethoxyphenyl)-(3-iodophenyl)methanone
CID 43337349
(2-bromo-5-methoxyphenyl)-(2-methoxyphenyl)methanone
CID 105079993
(3-chloro-2-fluorophenyl)-(2,5-dimethoxyphenyl)methanone
CID 64714149
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-iodobenzamide
CID 7366697
(2,5-dimethoxyphenyl)-(2,5-dimethylfuran-3-yl)methanone
CID 43462543
(2-fluoro-4-methoxyphenyl)-(2-methoxyphenyl)methanone
CID 43561172

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxyphenyl)-(2-iodophenyl)methanone?
The IUPAC name of (2,5-dimethoxyphenyl)-(2-iodophenyl)methanone (CID 15888023) is (2,5-dimethoxyphenyl)-(2-iodophenyl)methanone.
What is the SMILES notation for (2,5-dimethoxyphenyl)-(2-iodophenyl)methanone?
The canonical SMILES for (2,5-dimethoxyphenyl)-(2-iodophenyl)methanone is COc1ccc(OC)c(C(=O)c2ccccc2I)c1.
What is the InChIKey of (2,5-dimethoxyphenyl)-(2-iodophenyl)methanone?
The InChIKey is DTOUHHKHNJVMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13IO3/c1-18-10-7-8-14(19-2)12(9-10)15(17)11-5-3-4-6-13(11)16/h3-9H,1-2H3.
What are the key properties of (2,5-dimethoxyphenyl)-(2-iodophenyl)methanone?
(2,5-dimethoxyphenyl)-(2-iodophenyl)methanone has a molecular weight of 368.17 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethoxyphenyl)-(2-iodophenyl)methanone is sourced from PubChem (CID 15888023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).