(4Z)-4-benzylidene-2-(3,5-dimethylphenyl)-5-phenyl-2-(trifluoromethyl)-1,3-dioxolane

C25H21F3O2 — CID 139242341

IUPAC(4Z)-4-benzylidene-2-(3,5-dimethylphenyl)-5-phenyl-2-(trifluoromethyl)-1,3-dioxolane
SMILESCc1cc(C)cc(C2(C(F)(F)F)O/C(=C\c3ccccc3)C(c3ccccc3)O2)c1
InChIInChI=1S/C25H21F3O2/c1-17-13-18(2)15-21(14-17)24(25(26,27)28)29-22(16-19-9-5-3-6-10-19)23(30-24)20-11-7-4-8-12-20/h3-16,23H,1-2H3/b22-16-
InChIKeyUUQVXDBKODFDFG-JWGURIENSA-N
MW410.44 g/mol
LogP6.85
Rot. Bonds3

About (4Z)-4-benzylidene-2-(3,5-dimethylphenyl)-5-phenyl-2-(trifluoromethyl)-1,3-dioxolane

(4Z)-4-benzylidene-2-(3,5-dimethylphenyl)-5-phenyl-2-(trifluoromethyl)-1,3-dioxolane (PubChem CID 139242341) has the molecular formula C25H21F3O2 and a molecular weight of 410.44 g/mol. Its IUPAC name is (4Z)-4-benzylidene-2-(3,5-dimethylphenyl)-5-phenyl-2-(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name(4Z)-4-benzylidene-2-(3,5-dimethylphenyl)-5-phenyl-2-(trifluoromethyl)-1,3-dioxolane
PubChem CID139242341
Molecular FormulaC25H21F3O2
Molecular Weight410.44 g/mol
Exact Mass410.15
IUPAC Name(4Z)-4-benzylidene-2-(3,5-dimethylphenyl)-5-phenyl-2-(trifluoromethyl)-1,3-dioxolane
SMILESCc1cc(C)cc(C2(C(F)(F)F)O/C(=C\c3ccccc3)C(c3ccccc3)O2)c1
InChIInChI=1S/C25H21F3O2/c1-17-13-18(2)15-21(14-17)24(25(26,27)28)29-22(16-19-9-5-3-6-10-19)23(30-24)20-11-7-4-8-12-20/h3-16,23H,1-2H3/b22-16-
InChIKeyUUQVXDBKODFDFG-JWGURIENSA-N
XLogP6.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.44
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4Z)-4-benzylidene-2-(3,5-dimethylphenyl)-5-phenyl-2-(trifluoromethyl)-1,3-dioxolane 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

1,4-Dioxaspiro[4.5]decane, 2-phenyl-
CID 97830
3-[4-[3-(Trifluoromethyl)phenyl]phenyl]-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one
CID 72206181
2,2-Diphenyldioxolane
CID 283230
2,2-Bis(4-methylphenyl)-1,3-dioxolane
CID 53996432
(3aS,6S,7R,7aS)-6-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-7-[(4-fluorophenyl)methoxy]-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran
CID 134406946
(3aS,6R,7R,7aS)-6-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-7-[(4-fluorophenyl)methoxy]-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran
CID 134406969
(4R)-4-(2,2-difluoro-1-phenylmethoxybut-3-enyl)-2,2-dimethyl-1,3-dioxolane
CID 12115894
3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-phenyl-tetrahydro-pyran
CID 10408912
8-[[3,5-Bis(trifluoromethyl)phenyl]methoxymethyl]-8-phenyl-1,4-dioxaspiro[4.5]decane
CID 10183920
1,3-Dioxolane, 4-phenyl-2-(phenylmethyl)-
CID 97838
2-Phenyl-2-(O-tolyl)-1,3-dioxolane
CID 3492377
(8R,9R)-9-(4-fluorophenyl)-8-[1-(4-fluorophenyl)ethenyl]-6,7,10-trioxaspiro[4.5]decane
CID 71527230

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-benzylidene-2-(3,5-dimethylphenyl)-5-phenyl-2-(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of (4Z)-4-benzylidene-2-(3,5-dimethylphenyl)-5-phenyl-2-(trifluoromethyl)-1,3-dioxolane (CID 139242341) is (4Z)-4-benzylidene-2-(3,5-dimethylphenyl)-5-phenyl-2-(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for (4Z)-4-benzylidene-2-(3,5-dimethylphenyl)-5-phenyl-2-(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for (4Z)-4-benzylidene-2-(3,5-dimethylphenyl)-5-phenyl-2-(trifluoromethyl)-1,3-dioxolane is Cc1cc(C)cc(C2(C(F)(F)F)O/C(=C\c3ccccc3)C(c3ccccc3)O2)c1.
What is the InChIKey of (4Z)-4-benzylidene-2-(3,5-dimethylphenyl)-5-phenyl-2-(trifluoromethyl)-1,3-dioxolane?
The InChIKey is UUQVXDBKODFDFG-JWGURIENSA-N. The full InChI is InChI=1S/C25H21F3O2/c1-17-13-18(2)15-21(14-17)24(25(26,27)28)29-22(16-19-9-5-3-6-10-19)23(30-24)20-11-7-4-8-12-20/h3-16,23H,1-2H3/b22-16-.
What are the key properties of (4Z)-4-benzylidene-2-(3,5-dimethylphenyl)-5-phenyl-2-(trifluoromethyl)-1,3-dioxolane?
(4Z)-4-benzylidene-2-(3,5-dimethylphenyl)-5-phenyl-2-(trifluoromethyl)-1,3-dioxolane has a molecular weight of 410.44 g/mol, XLogP of 6.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-benzylidene-2-(3,5-dimethylphenyl)-5-phenyl-2-(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 139242341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).