2-chloro-1-ethoxy-4-[1,1,1-trifluoro-3-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene

C24H22ClF3O3 — CID 14580805

IUPAC2-chloro-1-ethoxy-4-[1,1,1-trifluoro-3-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene
SMILESCCOc1ccc(C(COCc2cccc(Oc3ccccc3)c2)C(F)(F)F)cc1Cl
InChIInChI=1S/C24H22ClF3O3/c1-2-30-23-12-11-18(14-22(23)25)21(24(26,27)28)16-29-15-17-7-6-10-20(13-17)31-19-8-4-3-5-9-19/h3-14,21H,2,15-16H2,1H3
InChIKeyBRCMEYGHRBUGCT-UHFFFAOYSA-N
MW450.88 g/mol
LogP7.39
Rot. Bonds9

About 2-chloro-1-ethoxy-4-[1,1,1-trifluoro-3-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene

2-chloro-1-ethoxy-4-[1,1,1-trifluoro-3-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene (PubChem CID 14580805) has the molecular formula C24H22ClF3O3 and a molecular weight of 450.88 g/mol. Its IUPAC name is 2-chloro-1-ethoxy-4-[1,1,1-trifluoro-3-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene.

Molecular Properties

Compound Name2-chloro-1-ethoxy-4-[1,1,1-trifluoro-3-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene
PubChem CID14580805
Molecular FormulaC24H22ClF3O3
Molecular Weight450.88 g/mol
Exact Mass450.12
IUPAC Name2-chloro-1-ethoxy-4-[1,1,1-trifluoro-3-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene
SMILESCCOc1ccc(C(COCc2cccc(Oc3ccccc3)c2)C(F)(F)F)cc1Cl
InChIInChI=1S/C24H22ClF3O3/c1-2-30-23-12-11-18(14-22(23)25)21(24(26,27)28)16-29-15-17-7-6-10-20(13-17)31-19-8-4-3-5-9-19/h3-14,21H,2,15-16H2,1H3
InChIKeyBRCMEYGHRBUGCT-UHFFFAOYSA-N
XLogP7.39
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.88
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-chloro-1-ethoxy-4-[1,1,1-trifluoro-3-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-ethoxy-4-[1,1,1-trifluoro-3-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene?
The IUPAC name of 2-chloro-1-ethoxy-4-[1,1,1-trifluoro-3-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene (CID 14580805) is 2-chloro-1-ethoxy-4-[1,1,1-trifluoro-3-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene.
What is the SMILES notation for 2-chloro-1-ethoxy-4-[1,1,1-trifluoro-3-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene?
The canonical SMILES for 2-chloro-1-ethoxy-4-[1,1,1-trifluoro-3-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene is CCOc1ccc(C(COCc2cccc(Oc3ccccc3)c2)C(F)(F)F)cc1Cl.
What is the InChIKey of 2-chloro-1-ethoxy-4-[1,1,1-trifluoro-3-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene?
The InChIKey is BRCMEYGHRBUGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClF3O3/c1-2-30-23-12-11-18(14-22(23)25)21(24(26,27)28)16-29-15-17-7-6-10-20(13-17)31-19-8-4-3-5-9-19/h3-14,21H,2,15-16H2,1H3.
What are the key properties of 2-chloro-1-ethoxy-4-[1,1,1-trifluoro-3-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene?
2-chloro-1-ethoxy-4-[1,1,1-trifluoro-3-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene has a molecular weight of 450.88 g/mol, XLogP of 7.39, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-ethoxy-4-[1,1,1-trifluoro-3-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene is sourced from PubChem (CID 14580805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).