(2,5-dimethylphenyl)-(3-iodophenyl)methanone

C15H13IO — CID 43159705

IUPAC(2,5-dimethylphenyl)-(3-iodophenyl)methanone
SMILESCc1ccc(C)c(C(=O)c2cccc(I)c2)c1
InChIInChI=1S/C15H13IO/c1-10-6-7-11(2)14(8-10)15(17)12-4-3-5-13(16)9-12/h3-9H,1-2H3
InChIKeyFNQLINMZPQMWLW-UHFFFAOYSA-N
MW336.17 g/mol
LogP4.14
Rot. Bonds2

About (2,5-dimethylphenyl)-(3-iodophenyl)methanone

(2,5-dimethylphenyl)-(3-iodophenyl)methanone (PubChem CID 43159705) has the molecular formula C15H13IO and a molecular weight of 336.17 g/mol. Its IUPAC name is (2,5-dimethylphenyl)-(3-iodophenyl)methanone.

Molecular Properties

Compound Name(2,5-dimethylphenyl)-(3-iodophenyl)methanone
PubChem CID43159705
Molecular FormulaC15H13IO
Molecular Weight336.17 g/mol
Exact Mass336.00
IUPAC Name(2,5-dimethylphenyl)-(3-iodophenyl)methanone
SMILESCc1ccc(C)c(C(=O)c2cccc(I)c2)c1
InChIInChI=1S/C15H13IO/c1-10-6-7-11(2)14(8-10)15(17)12-4-3-5-13(16)9-12/h3-9H,1-2H3
InChIKeyFNQLINMZPQMWLW-UHFFFAOYSA-N
XLogP4.14
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.17
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2,5-dimethylphenyl)-(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-(2,5-dimethylbenzoyl)phenyl]-phenylmethanone
CID 90191697
(2,5-dimethylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 43337272
(2,5-dimethylphenyl)-(3-fluoro-4-methylphenyl)methanone
CID 43337276
(3,4-difluorophenyl)-(2,5-dimethylphenyl)methanone
CID 43337256
(2-fluorophenyl)-(3-iodophenyl)methanone
CID 24722822
N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-iodobenzamide
CID 95356346
(2,5-dimethoxyphenyl)-(3-iodophenyl)methanone
CID 43337349
[5-amino-1-(4-methylphenyl)pyrazol-4-yl]-(3-iodophenyl)methanone
CID 22262801
(2,3-difluorophenyl)-(3-iodophenyl)methanone
CID 114973513
3-iodo-N'-(4-methylbenzoyl)benzohydrazide
CID 1127160
bis(3-methylphenyl)methanone
CID 17848
(2-iodo-4-methylphenyl)-phenylmethanone
CID 170986222

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylphenyl)-(3-iodophenyl)methanone?
The IUPAC name of (2,5-dimethylphenyl)-(3-iodophenyl)methanone (CID 43159705) is (2,5-dimethylphenyl)-(3-iodophenyl)methanone.
What is the SMILES notation for (2,5-dimethylphenyl)-(3-iodophenyl)methanone?
The canonical SMILES for (2,5-dimethylphenyl)-(3-iodophenyl)methanone is Cc1ccc(C)c(C(=O)c2cccc(I)c2)c1.
What is the InChIKey of (2,5-dimethylphenyl)-(3-iodophenyl)methanone?
The InChIKey is FNQLINMZPQMWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13IO/c1-10-6-7-11(2)14(8-10)15(17)12-4-3-5-13(16)9-12/h3-9H,1-2H3.
What are the key properties of (2,5-dimethylphenyl)-(3-iodophenyl)methanone?
(2,5-dimethylphenyl)-(3-iodophenyl)methanone has a molecular weight of 336.17 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylphenyl)-(3-iodophenyl)methanone is sourced from PubChem (CID 43159705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).