2-iodo-1-(2-phenylmethoxyphenyl)-4-(trifluoromethoxy)benzene

C20H14F3IO2 — CID 172676595

IUPAC2-iodo-1-(2-phenylmethoxyphenyl)-4-(trifluoromethoxy)benzene
SMILESFC(F)(F)Oc1ccc(-c2ccccc2OCc2ccccc2)c(I)c1
InChIInChI=1S/C20H14F3IO2/c21-20(22,23)26-15-10-11-16(18(24)12-15)17-8-4-5-9-19(17)25-13-14-6-2-1-3-7-14/h1-12H,13H2
InChIKeyWYPCSDYVASRXRF-UHFFFAOYSA-N
MW470.23 g/mol
LogP6.44
Rot. Bonds5

About 2-iodo-1-(2-phenylmethoxyphenyl)-4-(trifluoromethoxy)benzene

2-iodo-1-(2-phenylmethoxyphenyl)-4-(trifluoromethoxy)benzene (PubChem CID 172676595) has the molecular formula C20H14F3IO2 and a molecular weight of 470.23 g/mol. Its IUPAC name is 2-iodo-1-(2-phenylmethoxyphenyl)-4-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name2-iodo-1-(2-phenylmethoxyphenyl)-4-(trifluoromethoxy)benzene
PubChem CID172676595
Molecular FormulaC20H14F3IO2
Molecular Weight470.23 g/mol
Exact Mass470.00
IUPAC Name2-iodo-1-(2-phenylmethoxyphenyl)-4-(trifluoromethoxy)benzene
SMILESFC(F)(F)Oc1ccc(-c2ccccc2OCc2ccccc2)c(I)c1
InChIInChI=1S/C20H14F3IO2/c21-20(22,23)26-15-10-11-16(18(24)12-15)17-8-4-5-9-19(17)25-13-14-6-2-1-3-7-14/h1-12H,13H2
InChIKeyWYPCSDYVASRXRF-UHFFFAOYSA-N
XLogP6.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.23
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-phenylmethoxyphenyl)-5-(trifluoromethoxy)aniline
CID 166176232
4-ethynyl-2-phenylmethoxy-1-[2-(trifluoromethoxy)phenyl]benzene
CID 176508519
5-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]phenol
CID 171115606
1-phenylmethoxy-3-[3-(trifluoromethoxy)phenoxy]benzene
CID 20738781
1-chloro-2-[[4-(trifluoromethoxy)phenyl]methoxy]benzene
CID 64763975
5-chloro-2-iodo-1-phenylmethoxy-3-(trifluoromethoxy)benzene
CID 170171554
2-phenylmethoxy-4-[4-(trifluoromethoxy)phenyl]aniline
CID 171921767
5-phenylmethoxy-2-[3-(trifluoromethoxy)phenyl]aniline
CID 172674848
2,3-diisocyano-1,4-bis(2-phenylmethoxyphenyl)benzene
CID 101487258
1-fluoro-2-iodo-4-phenylmethoxybenzene
CID 18330888
1-bromo-3-phenylmethoxy-5-(trifluoromethoxy)benzene
CID 53216974
3,4-bis(phenylmethoxy)-6-[2-[4-(trifluoromethoxy)phenyl]ethynyl]pyridazine
CID 71270488

Frequently Asked Questions

What is the IUPAC name of 2-iodo-1-(2-phenylmethoxyphenyl)-4-(trifluoromethoxy)benzene?
The IUPAC name of 2-iodo-1-(2-phenylmethoxyphenyl)-4-(trifluoromethoxy)benzene (CID 172676595) is 2-iodo-1-(2-phenylmethoxyphenyl)-4-(trifluoromethoxy)benzene.
What is the SMILES notation for 2-iodo-1-(2-phenylmethoxyphenyl)-4-(trifluoromethoxy)benzene?
The canonical SMILES for 2-iodo-1-(2-phenylmethoxyphenyl)-4-(trifluoromethoxy)benzene is FC(F)(F)Oc1ccc(-c2ccccc2OCc2ccccc2)c(I)c1.
What is the InChIKey of 2-iodo-1-(2-phenylmethoxyphenyl)-4-(trifluoromethoxy)benzene?
The InChIKey is WYPCSDYVASRXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3IO2/c21-20(22,23)26-15-10-11-16(18(24)12-15)17-8-4-5-9-19(17)25-13-14-6-2-1-3-7-14/h1-12H,13H2.
What are the key properties of 2-iodo-1-(2-phenylmethoxyphenyl)-4-(trifluoromethoxy)benzene?
2-iodo-1-(2-phenylmethoxyphenyl)-4-(trifluoromethoxy)benzene has a molecular weight of 470.23 g/mol, XLogP of 6.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-1-(2-phenylmethoxyphenyl)-4-(trifluoromethoxy)benzene is sourced from PubChem (CID 172676595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).