4-phenyl-4-prop-1-enyl-1,3-dioxolan-2-one

C12H12O3 — CID 171904736

IUPAC4-phenyl-4-prop-1-enyl-1,3-dioxolan-2-one
SMILESCC=CC1(c2ccccc2)COC(=O)O1
InChIInChI=1S/C12H12O3/c1-2-8-12(9-14-11(13)15-12)10-6-4-3-5-7-10/h2-8H,9H2,1H3
InChIKeyFZRIYRCGUORNAK-UHFFFAOYSA-N
MW204.22 g/mol
LogP2.62
Rot. Bonds2

About 4-phenyl-4-prop-1-enyl-1,3-dioxolan-2-one

4-phenyl-4-prop-1-enyl-1,3-dioxolan-2-one (PubChem CID 171904736) has the molecular formula C12H12O3 and a molecular weight of 204.22 g/mol. Its IUPAC name is 4-phenyl-4-prop-1-enyl-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-phenyl-4-prop-1-enyl-1,3-dioxolan-2-one
PubChem CID171904736
Molecular FormulaC12H12O3
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Name4-phenyl-4-prop-1-enyl-1,3-dioxolan-2-one
SMILESCC=CC1(c2ccccc2)COC(=O)O1
InChIInChI=1S/C12H12O3/c1-2-8-12(9-14-11(13)15-12)10-6-4-3-5-7-10/h2-8H,9H2,1H3
InChIKeyFZRIYRCGUORNAK-UHFFFAOYSA-N
XLogP2.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

alpha-Methylbenzyl formate
CID 346286
Benzaldehyde propylene glycol acetal
CID 595928
1-Benzyloxy-1-(2-methoxyethoxy)ethane
CID 22235151
2-Methyl-2-phenyloxirane
CID 16398
4-Methyl-4-phenyl-1,3-dioxane
CID 92875
1,3-Dioxane, 2,4,6-trimethyl-4-phenyl-
CID 107381
2-Phenyl-1,3-dioxolane
CID 70293
1,2-Ethanediol, 1-phenyl-, 1,2-diacetate
CID 95008
Benzenemethanol, alpha,alpha-dimethyl-, 1-acetate
CID 76963
1,3-Dioxolane, 2-methyl-4-phenyl-
CID 118119
Sdz 51641
CID 146329
1,3-Dioxolane-4-methanol, 2-methyl-2-phenyl-
CID 20371

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-4-prop-1-enyl-1,3-dioxolan-2-one?
The IUPAC name of 4-phenyl-4-prop-1-enyl-1,3-dioxolan-2-one (CID 171904736) is 4-phenyl-4-prop-1-enyl-1,3-dioxolan-2-one.
What is the SMILES notation for 4-phenyl-4-prop-1-enyl-1,3-dioxolan-2-one?
The canonical SMILES for 4-phenyl-4-prop-1-enyl-1,3-dioxolan-2-one is CC=CC1(c2ccccc2)COC(=O)O1.
What is the InChIKey of 4-phenyl-4-prop-1-enyl-1,3-dioxolan-2-one?
The InChIKey is FZRIYRCGUORNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3/c1-2-8-12(9-14-11(13)15-12)10-6-4-3-5-7-10/h2-8H,9H2,1H3.
What are the key properties of 4-phenyl-4-prop-1-enyl-1,3-dioxolan-2-one?
4-phenyl-4-prop-1-enyl-1,3-dioxolan-2-one has a molecular weight of 204.22 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-4-prop-1-enyl-1,3-dioxolan-2-one is sourced from PubChem (CID 171904736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).