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

C24H19F3O3 — CID 139242323

IUPAC(4Z)-4-benzylidene-5-(4-methoxyphenyl)-2-phenyl-2-(trifluoromethyl)-1,3-dioxolane
SMILESCOc1ccc(C2OC(c3ccccc3)(C(F)(F)F)O/C2=C\c2ccccc2)cc1
InChIInChI=1S/C24H19F3O3/c1-28-20-14-12-18(13-15-20)22-21(16-17-8-4-2-5-9-17)29-23(30-22,24(25,26)27)19-10-6-3-7-11-19/h2-16,22H,1H3/b21-16-
InChIKeyIHVRIBIVVUUBBA-PGMHBOJBSA-N
MW412.41 g/mol
LogP6.24
Rot. Bonds4

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

(4Z)-4-benzylidene-5-(4-methoxyphenyl)-2-phenyl-2-(trifluoromethyl)-1,3-dioxolane (PubChem CID 139242323) has the molecular formula C24H19F3O3 and a molecular weight of 412.41 g/mol. Its IUPAC name is (4Z)-4-benzylidene-5-(4-methoxyphenyl)-2-phenyl-2-(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name(4Z)-4-benzylidene-5-(4-methoxyphenyl)-2-phenyl-2-(trifluoromethyl)-1,3-dioxolane
PubChem CID139242323
Molecular FormulaC24H19F3O3
Molecular Weight412.41 g/mol
Exact Mass412.13
IUPAC Name(4Z)-4-benzylidene-5-(4-methoxyphenyl)-2-phenyl-2-(trifluoromethyl)-1,3-dioxolane
SMILESCOc1ccc(C2OC(c3ccccc3)(C(F)(F)F)O/C2=C\c2ccccc2)cc1
InChIInChI=1S/C24H19F3O3/c1-28-20-14-12-18(13-15-20)22-21(16-17-8-4-2-5-9-17)29-23(30-22,24(25,26)27)19-10-6-3-7-11-19/h2-16,22H,1H3/b21-16-
InChIKeyIHVRIBIVVUUBBA-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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Related Compounds

Verimol H
CID 85266197
Verimol C
CID 85187741
Anisaldehyde propyleneglycol acetal
CID 98081
(2S,3S)-2,3-bis[(4-methoxyphenyl)methyl]-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one
CID 404472
3-Methoxy-3-[4-(trifluoromethoxy)phenyl]-1,2-dioxaspiro[5.5]undec-4-ene
CID 44308947
3-[1-(3-Fluoro-4-methoxyphenyl)ethenyl]-1,2,5-trioxaspiro[5.5]undecane
CID 166625926
8-[1-(3-Fluoro-4-methoxyphenyl)ethenyl]-6,7,10-trioxaspiro[4.5]decane
CID 166634138
(2R,3S,4R,5S)-2,5-bis(4-methoxyphenyl)-3,4-dimethyloxolane
CID 17756534
1,3-Dioxolane, 2-[2-(4-benzyloxy)phenylethyl]-
CID 563840
2-(4-Methoxyphenyl)-5-phenyloxolane
CID 85393704
2-[2-(4-Benzylphenoxy)ethoxy]oxane
CID 10781413
(E)-1,2-Diphenyl-1-(4-methoxyphenyl)-3,3,3-trifluoro-1-propene
CID 11314207

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-benzylidene-5-(4-methoxyphenyl)-2-phenyl-2-(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of (4Z)-4-benzylidene-5-(4-methoxyphenyl)-2-phenyl-2-(trifluoromethyl)-1,3-dioxolane (CID 139242323) is (4Z)-4-benzylidene-5-(4-methoxyphenyl)-2-phenyl-2-(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for (4Z)-4-benzylidene-5-(4-methoxyphenyl)-2-phenyl-2-(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for (4Z)-4-benzylidene-5-(4-methoxyphenyl)-2-phenyl-2-(trifluoromethyl)-1,3-dioxolane is COc1ccc(C2OC(c3ccccc3)(C(F)(F)F)O/C2=C\c2ccccc2)cc1.
What is the InChIKey of (4Z)-4-benzylidene-5-(4-methoxyphenyl)-2-phenyl-2-(trifluoromethyl)-1,3-dioxolane?
The InChIKey is IHVRIBIVVUUBBA-PGMHBOJBSA-N. The full InChI is InChI=1S/C24H19F3O3/c1-28-20-14-12-18(13-15-20)22-21(16-17-8-4-2-5-9-17)29-23(30-22,24(25,26)27)19-10-6-3-7-11-19/h2-16,22H,1H3/b21-16-.
What are the key properties of (4Z)-4-benzylidene-5-(4-methoxyphenyl)-2-phenyl-2-(trifluoromethyl)-1,3-dioxolane?
(4Z)-4-benzylidene-5-(4-methoxyphenyl)-2-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-5-(4-methoxyphenyl)-2-phenyl-2-(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 139242323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).