2-(4-but-3-enoxyphenyl)-1,3-dioxolane

C13H16O3 — CID 134895212

IUPAC2-(4-but-3-enoxyphenyl)-1,3-dioxolane
SMILESC=CCCOc1ccc(C2OCCO2)cc1
InChIInChI=1S/C13H16O3/c1-2-3-8-14-12-6-4-11(5-7-12)13-15-9-10-16-13/h2,4-7,13H,1,3,8-10H2
InChIKeyGEIACEACPQCUKR-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.69
Rot. Bonds5

About 2-(4-but-3-enoxyphenyl)-1,3-dioxolane

2-(4-but-3-enoxyphenyl)-1,3-dioxolane (PubChem CID 134895212) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-(4-but-3-enoxyphenyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(4-but-3-enoxyphenyl)-1,3-dioxolane
PubChem CID134895212
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name2-(4-but-3-enoxyphenyl)-1,3-dioxolane
SMILESC=CCCOc1ccc(C2OCCO2)cc1
InChIInChI=1S/C13H16O3/c1-2-3-8-14-12-6-4-11(5-7-12)13-15-9-10-16-13/h2,4-7,13H,1,3,8-10H2
InChIKeyGEIACEACPQCUKR-UHFFFAOYSA-N
XLogP2.69
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-but-3-enoxyphenyl)-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

2-[4-[2-(4-methylphenoxy)ethoxy]phenyl]-1,3-dioxolane
CID 19989572
2-[(4-but-3-enoxyphenoxy)methyl]oxirane
CID 57158633
2-[4-[2-(4-pentoxyphenyl)ethynyl]phenyl]-1,3-dioxolane
CID 172830179
1-but-3-enoxy-4-tert-butylbenzene
CID 42600781
2-[4-(4-chlorobut-2-ynoxy)phenyl]-1,3-dioxolane
CID 53406475
5-hex-5-enyl-2-[4-[4-(4-methylhexoxy)phenyl]phenyl]-1,3-dioxane
CID 19834752
1-but-3-enoxy-4-[2-(4-but-3-enoxyphenyl)propan-2-yl]benzene
CID 59168492
(4-but-3-enoxyphenyl)-(4-methoxyphenyl)diazene
CID 71359272
2-[4-[4-(6-methyloctoxy)phenyl]phenyl]-5-pent-4-enyl-1,3-dioxane
CID 19834737
5-[(4S)-4-methylhexyl]-2-[4-(4-non-8-enoxyphenyl)phenyl]-1,3-dioxane
CID 139719136
5-[(4-methoxyphenyl)methyl]-2-[4-(2-prop-2-enoxyethoxy)phenyl]-1,3-dioxane
CID 139629207
2-[4-[4-(6-methyloctoxy)phenyl]phenyl]-5-undec-10-enyl-1,3-dioxane
CID 19834757

Frequently Asked Questions

What is the IUPAC name of 2-(4-but-3-enoxyphenyl)-1,3-dioxolane?
The IUPAC name of 2-(4-but-3-enoxyphenyl)-1,3-dioxolane (CID 134895212) is 2-(4-but-3-enoxyphenyl)-1,3-dioxolane.
What is the SMILES notation for 2-(4-but-3-enoxyphenyl)-1,3-dioxolane?
The canonical SMILES for 2-(4-but-3-enoxyphenyl)-1,3-dioxolane is C=CCCOc1ccc(C2OCCO2)cc1.
What is the InChIKey of 2-(4-but-3-enoxyphenyl)-1,3-dioxolane?
The InChIKey is GEIACEACPQCUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-2-3-8-14-12-6-4-11(5-7-12)13-15-9-10-16-13/h2,4-7,13H,1,3,8-10H2.
What are the key properties of 2-(4-but-3-enoxyphenyl)-1,3-dioxolane?
2-(4-but-3-enoxyphenyl)-1,3-dioxolane has a molecular weight of 220.27 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-but-3-enoxyphenyl)-1,3-dioxolane is sourced from PubChem (CID 134895212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).