2-iodo-1-(4-methoxyphenoxy)-4-(trifluoromethyl)benzene

C14H10F3IO2 — CID 134929204

IUPAC2-iodo-1-(4-methoxyphenoxy)-4-(trifluoromethyl)benzene
SMILESCOc1ccc(Oc2ccc(C(F)(F)F)cc2I)cc1
InChIInChI=1S/C14H10F3IO2/c1-19-10-3-5-11(6-4-10)20-13-7-2-9(8-12(13)18)14(15,16)17/h2-8H,1H3
InChIKeyIYZKWSYLXYDECU-UHFFFAOYSA-N
MW394.13 g/mol
LogP5.11
Rot. Bonds3

About 2-iodo-1-(4-methoxyphenoxy)-4-(trifluoromethyl)benzene

2-iodo-1-(4-methoxyphenoxy)-4-(trifluoromethyl)benzene (PubChem CID 134929204) has the molecular formula C14H10F3IO2 and a molecular weight of 394.13 g/mol. Its IUPAC name is 2-iodo-1-(4-methoxyphenoxy)-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-iodo-1-(4-methoxyphenoxy)-4-(trifluoromethyl)benzene
PubChem CID134929204
Molecular FormulaC14H10F3IO2
Molecular Weight394.13 g/mol
Exact Mass393.97
IUPAC Name2-iodo-1-(4-methoxyphenoxy)-4-(trifluoromethyl)benzene
SMILESCOc1ccc(Oc2ccc(C(F)(F)F)cc2I)cc1
InChIInChI=1S/C14H10F3IO2/c1-19-10-3-5-11(6-4-10)20-13-7-2-9(8-12(13)18)14(15,16)17/h2-8H,1H3
InChIKeyIYZKWSYLXYDECU-UHFFFAOYSA-N
XLogP5.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.13
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-iodo-1-(4-methoxyphenoxy)-4-(trifluoromethyl)benzene 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

1-iodo-2-(4-methoxyphenoxy)benzene
CID 11347944
1-methoxy-2-[4-(trifluoromethyl)phenoxy]benzene
CID 76546119
2-iodo-1-propan-2-ylsulfanyloxy-4-(trifluoromethyl)benzene
CID 174771462
1-(4-tert-butylphenoxy)-2-chloro-4-(trifluoromethyl)benzene
CID 70799689
2-(4-methylphenoxy)-5-(trifluoromethyl)aniline
CID 4189535
3-[[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid
CID 2811387
4-amino-5-[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169331408
[5-tert-butyl-2-(4-tert-butylphenoxy)phenyl]-bis(4-methoxyphenyl)sulfanium
CID 58908064
2-(4-methoxyphenyl)-5-(trifluoromethyl)phenol
CID 146557266
1-fluoro-2-methoxy-4-[4-(trifluoromethyl)phenoxy]benzene
CID 166074039
N-[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-3-nitrobenzamide
CID 1341626
[2-methoxy-4-(trifluoromethyl)phenyl]phosphane
CID 151566843

Frequently Asked Questions

What is the IUPAC name of 2-iodo-1-(4-methoxyphenoxy)-4-(trifluoromethyl)benzene?
The IUPAC name of 2-iodo-1-(4-methoxyphenoxy)-4-(trifluoromethyl)benzene (CID 134929204) is 2-iodo-1-(4-methoxyphenoxy)-4-(trifluoromethyl)benzene.
What is the SMILES notation for 2-iodo-1-(4-methoxyphenoxy)-4-(trifluoromethyl)benzene?
The canonical SMILES for 2-iodo-1-(4-methoxyphenoxy)-4-(trifluoromethyl)benzene is COc1ccc(Oc2ccc(C(F)(F)F)cc2I)cc1.
What is the InChIKey of 2-iodo-1-(4-methoxyphenoxy)-4-(trifluoromethyl)benzene?
The InChIKey is IYZKWSYLXYDECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3IO2/c1-19-10-3-5-11(6-4-10)20-13-7-2-9(8-12(13)18)14(15,16)17/h2-8H,1H3.
What are the key properties of 2-iodo-1-(4-methoxyphenoxy)-4-(trifluoromethyl)benzene?
2-iodo-1-(4-methoxyphenoxy)-4-(trifluoromethyl)benzene has a molecular weight of 394.13 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-1-(4-methoxyphenoxy)-4-(trifluoromethyl)benzene is sourced from PubChem (CID 134929204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).