3-(2-ethenyl-5-phenyl-1,3-dioxolan-4-yl)propan-1-ol

C14H18O3 — CID 154130862

IUPAC3-(2-ethenyl-5-phenyl-1,3-dioxolan-4-yl)propan-1-ol
SMILESC=CC1OC(CCCO)C(c2ccccc2)O1
InChIInChI=1S/C14H18O3/c1-2-13-16-12(9-6-10-15)14(17-13)11-7-4-3-5-8-11/h2-5,7-8,12-15H,1,6,9-10H2
InChIKeyGLJRDSFTAXWFPU-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.43
Rot. Bonds5

About 3-(2-ethenyl-5-phenyl-1,3-dioxolan-4-yl)propan-1-ol

3-(2-ethenyl-5-phenyl-1,3-dioxolan-4-yl)propan-1-ol (PubChem CID 154130862) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is 3-(2-ethenyl-5-phenyl-1,3-dioxolan-4-yl)propan-1-ol.

Molecular Properties

Compound Name3-(2-ethenyl-5-phenyl-1,3-dioxolan-4-yl)propan-1-ol
PubChem CID154130862
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name3-(2-ethenyl-5-phenyl-1,3-dioxolan-4-yl)propan-1-ol
SMILESC=CC1OC(CCCO)C(c2ccccc2)O1
InChIInChI=1S/C14H18O3/c1-2-13-16-12(9-6-10-15)14(17-13)11-7-4-3-5-8-11/h2-5,7-8,12-15H,1,6,9-10H2
InChIKeyGLJRDSFTAXWFPU-UHFFFAOYSA-N
XLogP2.43
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethenyl-5-phenyl-1,3-dioxolan-4-yl)propan-1-ol?
The IUPAC name of 3-(2-ethenyl-5-phenyl-1,3-dioxolan-4-yl)propan-1-ol (CID 154130862) is 3-(2-ethenyl-5-phenyl-1,3-dioxolan-4-yl)propan-1-ol.
What is the SMILES notation for 3-(2-ethenyl-5-phenyl-1,3-dioxolan-4-yl)propan-1-ol?
The canonical SMILES for 3-(2-ethenyl-5-phenyl-1,3-dioxolan-4-yl)propan-1-ol is C=CC1OC(CCCO)C(c2ccccc2)O1.
What is the InChIKey of 3-(2-ethenyl-5-phenyl-1,3-dioxolan-4-yl)propan-1-ol?
The InChIKey is GLJRDSFTAXWFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-2-13-16-12(9-6-10-15)14(17-13)11-7-4-3-5-8-11/h2-5,7-8,12-15H,1,6,9-10H2.
What are the key properties of 3-(2-ethenyl-5-phenyl-1,3-dioxolan-4-yl)propan-1-ol?
3-(2-ethenyl-5-phenyl-1,3-dioxolan-4-yl)propan-1-ol has a molecular weight of 234.29 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethenyl-5-phenyl-1,3-dioxolan-4-yl)propan-1-ol is sourced from PubChem (CID 154130862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).