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

C24H19F3O3 — CID 139242338

IUPAC(4Z)-4-benzylidene-2-(4-methoxyphenyl)-5-phenyl-2-(trifluoromethyl)-1,3-dioxolane
SMILESCOc1ccc(C2(C(F)(F)F)O/C(=C\c3ccccc3)C(c3ccccc3)O2)cc1
InChIInChI=1S/C24H19F3O3/c1-28-20-14-12-19(13-15-20)23(24(25,26)27)29-21(16-17-8-4-2-5-9-17)22(30-23)18-10-6-3-7-11-18/h2-16,22H,1H3/b21-16-
InChIKeyNMJXTGKLZBGROY-PGMHBOJBSA-N
MW412.41 g/mol
LogP6.24
Rot. Bonds4

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

(4Z)-4-benzylidene-2-(4-methoxyphenyl)-5-phenyl-2-(trifluoromethyl)-1,3-dioxolane (PubChem CID 139242338) has the molecular formula C24H19F3O3 and a molecular weight of 412.41 g/mol. Its IUPAC name is (4Z)-4-benzylidene-2-(4-methoxyphenyl)-5-phenyl-2-(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name(4Z)-4-benzylidene-2-(4-methoxyphenyl)-5-phenyl-2-(trifluoromethyl)-1,3-dioxolane
PubChem CID139242338
Molecular FormulaC24H19F3O3
Molecular Weight412.41 g/mol
Exact Mass412.13
IUPAC Name(4Z)-4-benzylidene-2-(4-methoxyphenyl)-5-phenyl-2-(trifluoromethyl)-1,3-dioxolane
SMILESCOc1ccc(C2(C(F)(F)F)O/C(=C\c3ccccc3)C(c3ccccc3)O2)cc1
InChIInChI=1S/C24H19F3O3/c1-28-20-14-12-19(13-15-20)23(24(25,26)27)29-21(16-17-8-4-2-5-9-17)22(30-23)18-10-6-3-7-11-18/h2-16,22H,1H3/b21-16-
InChIKeyNMJXTGKLZBGROY-PGMHBOJBSA-N
XLogP6.24
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.41
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-benzylidene-2-(4-methoxyphenyl)-5-phenyl-2-(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of (4Z)-4-benzylidene-2-(4-methoxyphenyl)-5-phenyl-2-(trifluoromethyl)-1,3-dioxolane (CID 139242338) is (4Z)-4-benzylidene-2-(4-methoxyphenyl)-5-phenyl-2-(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for (4Z)-4-benzylidene-2-(4-methoxyphenyl)-5-phenyl-2-(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for (4Z)-4-benzylidene-2-(4-methoxyphenyl)-5-phenyl-2-(trifluoromethyl)-1,3-dioxolane is COc1ccc(C2(C(F)(F)F)O/C(=C\c3ccccc3)C(c3ccccc3)O2)cc1.
What is the InChIKey of (4Z)-4-benzylidene-2-(4-methoxyphenyl)-5-phenyl-2-(trifluoromethyl)-1,3-dioxolane?
The InChIKey is NMJXTGKLZBGROY-PGMHBOJBSA-N. The full InChI is InChI=1S/C24H19F3O3/c1-28-20-14-12-19(13-15-20)23(24(25,26)27)29-21(16-17-8-4-2-5-9-17)22(30-23)18-10-6-3-7-11-18/h2-16,22H,1H3/b21-16-.
What are the key properties of (4Z)-4-benzylidene-2-(4-methoxyphenyl)-5-phenyl-2-(trifluoromethyl)-1,3-dioxolane?
(4Z)-4-benzylidene-2-(4-methoxyphenyl)-5-phenyl-2-(trifluoromethyl)-1,3-dioxolane has a molecular weight of 412.41 g/mol, XLogP of 6.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-benzylidene-2-(4-methoxyphenyl)-5-phenyl-2-(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 139242338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).