[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone

C36H26F6O3 — CID 21026467

IUPAC[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone
SMILESCc1ccc(Oc2ccc(C(c3ccc(Oc4ccc(C(=O)c5ccc(C)cc5)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1
InChIInChI=1S/C36H26F6O3/c1-23-3-7-25(8-4-23)33(43)26-9-17-30(18-10-26)45-32-21-13-28(14-22-32)34(35(37,38)39,36(40,41)42)27-11-19-31(20-12-27)44-29-15-5-24(2)6-16-29/h3-22H,1-2H3
InChIKeyVCOVVBUCJLIZJF-UHFFFAOYSA-N
MW620.59 g/mol
LogP10.53
Rot. Bonds8

About [4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone

[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone (PubChem CID 21026467) has the molecular formula C36H26F6O3 and a molecular weight of 620.59 g/mol. Its IUPAC name is [4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone
PubChem CID21026467
Molecular FormulaC36H26F6O3
Molecular Weight620.59 g/mol
Exact Mass620.18
IUPAC Name[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone
SMILESCc1ccc(Oc2ccc(C(c3ccc(Oc4ccc(C(=O)c5ccc(C)cc5)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1
InChIInChI=1S/C36H26F6O3/c1-23-3-7-25(8-4-23)33(43)26-9-17-30(18-10-26)45-32-21-13-28(14-22-32)34(35(37,38)39,36(40,41)42)27-11-19-31(20-12-27)44-29-15-5-24(2)6-16-29/h3-22H,1-2H3
InChIKeyVCOVVBUCJLIZJF-UHFFFAOYSA-N
XLogP10.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.59
LogP ≤ 510.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone 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 [4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone?
The IUPAC name of [4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone (CID 21026467) is [4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone.
What is the SMILES notation for [4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone?
The canonical SMILES for [4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone is Cc1ccc(Oc2ccc(C(c3ccc(Oc4ccc(C(=O)c5ccc(C)cc5)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1.
What is the InChIKey of [4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone?
The InChIKey is VCOVVBUCJLIZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26F6O3/c1-23-3-7-25(8-4-23)33(43)26-9-17-30(18-10-26)45-32-21-13-28(14-22-32)34(35(37,38)39,36(40,41)42)27-11-19-31(20-12-27)44-29-15-5-24(2)6-16-29/h3-22H,1-2H3.
What are the key properties of [4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone?
[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone has a molecular weight of 620.59 g/mol, XLogP of 10.53, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone is sourced from PubChem (CID 21026467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).