2-[3-(1-phenylprop-2-enyl)phenyl]-1,3-dioxolane

C18H18O2 — CID 102141598

IUPAC2-[3-(1-phenylprop-2-enyl)phenyl]-1,3-dioxolane
SMILESC=CC(c1ccccc1)c1cccc(C2OCCO2)c1
InChIInChI=1S/C18H18O2/c1-2-17(14-7-4-3-5-8-14)15-9-6-10-16(13-15)18-19-11-12-20-18/h2-10,13,17-18H,1,11-12H2
InChIKeyLORFSYIFDQUPPG-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.05
Rot. Bonds4

About 2-[3-(1-phenylprop-2-enyl)phenyl]-1,3-dioxolane

2-[3-(1-phenylprop-2-enyl)phenyl]-1,3-dioxolane (PubChem CID 102141598) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[3-(1-phenylprop-2-enyl)phenyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[3-(1-phenylprop-2-enyl)phenyl]-1,3-dioxolane
PubChem CID102141598
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name2-[3-(1-phenylprop-2-enyl)phenyl]-1,3-dioxolane
SMILESC=CC(c1ccccc1)c1cccc(C2OCCO2)c1
InChIInChI=1S/C18H18O2/c1-2-17(14-7-4-3-5-8-14)15-9-6-10-16(13-15)18-19-11-12-20-18/h2-10,13,17-18H,1,11-12H2
InChIKeyLORFSYIFDQUPPG-UHFFFAOYSA-N
XLogP4.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-Benzyloxy-1-(2-methoxyethoxy)ethane
CID 22235151
2,2-Diphenyltetrahydrofuran
CID 70175
2-Phenyl-1,3-dioxolane
CID 70293
1,1-Dibenzyloxy-2-phenylethane
CID 95980
1,3-Dioxolane, 2-methyl-4-phenyl-
CID 118119
1,3-Dioxolane, 2,4-dimethyl-2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-
CID 3034278
Benzoin ethylene ketal
CID 243623
2,5-Dimethoxy-2,5-diphenyl-1,4-dioxane
CID 5059104
1,3-Dioxolane, 2,4-dimethyl-2-(5,6,7,8-tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthalenyl)-
CID 19912837
Preventol D2
CID 75979
1,4-Dioxaspiro[4.5]decane, 2-phenyl-
CID 97830
2-(2-Dicyclohexylphosphinophenyl)-1,3-dioxolane
CID 10665273

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-phenylprop-2-enyl)phenyl]-1,3-dioxolane?
The IUPAC name of 2-[3-(1-phenylprop-2-enyl)phenyl]-1,3-dioxolane (CID 102141598) is 2-[3-(1-phenylprop-2-enyl)phenyl]-1,3-dioxolane.
What is the SMILES notation for 2-[3-(1-phenylprop-2-enyl)phenyl]-1,3-dioxolane?
The canonical SMILES for 2-[3-(1-phenylprop-2-enyl)phenyl]-1,3-dioxolane is C=CC(c1ccccc1)c1cccc(C2OCCO2)c1.
What is the InChIKey of 2-[3-(1-phenylprop-2-enyl)phenyl]-1,3-dioxolane?
The InChIKey is LORFSYIFDQUPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-2-17(14-7-4-3-5-8-14)15-9-6-10-16(13-15)18-19-11-12-20-18/h2-10,13,17-18H,1,11-12H2.
What are the key properties of 2-[3-(1-phenylprop-2-enyl)phenyl]-1,3-dioxolane?
2-[3-(1-phenylprop-2-enyl)phenyl]-1,3-dioxolane has a molecular weight of 266.34 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-phenylprop-2-enyl)phenyl]-1,3-dioxolane is sourced from PubChem (CID 102141598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).