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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Related Compounds

2-(3-bromopropyl)-3-phenyloxirane
CID 134870798
ethane;2-(3-phenyloxiran-2-yl)ethanol
CID 143522200
(2R,3R,5R,6R)-2,3-diphenyl-5,6-bis(prop-2-enyl)-1,4-dioxane
CID 11141751
2-[(3E)-hexa-3,5-dienyl]-3-phenyloxirane
CID 22768325
2-phenyl-3-(3-phenylmethoxypropyl)oxirane
CID 13389573
[(2R,3S)-3-phenyloxiran-2-yl]methanamine
CID 10964671
ethyl 9-[(2R,3R)-3-phenyloxiran-2-yl]nonanoate
CID 10590631
4-[(3R)-3-ethenyloxiran-2-yl]butan-1-ol
CID 87561862
4-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]hepta-1,6-dien-4-ol
CID 102216647
1-phenyl-3-[(2S,3R)-3-phenyloxiran-2-yl]propan-1-one
CID 11184316
1-phenyl-3-[(2R,3R)-3-phenyloxiran-2-yl]propan-1-one
CID 13215527
(3R)-3-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]oct-1-en-3-ol
CID 134931143

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).