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

C18H16O6 — CID 160714565

IUPAC4-phenyl-1,3-dioxolan-2-one
SMILESO=C1OCC(c2ccccc2)O1.O=C1OCC(c2ccccc2)O1
InChIInChI=1S/2C9H8O3/c2*10-9-11-6-8(12-9)7-4-2-1-3-5-7/h2*1-5,8H,6H2
InChIKeyRSHMEDZALNMSLG-UHFFFAOYSA-N
MW328.32 g/mol
LogP3.79
Rot. Bonds2

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

4-phenyl-1,3-dioxolan-2-one (PubChem CID 160714565) has the molecular formula C18H16O6 and a molecular weight of 328.32 g/mol. Its IUPAC name is 4-phenyl-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-phenyl-1,3-dioxolan-2-one
PubChem CID160714565
Molecular FormulaC18H16O6
Molecular Weight328.32 g/mol
Exact Mass328.09
IUPAC Name4-phenyl-1,3-dioxolan-2-one
SMILESO=C1OCC(c2ccccc2)O1.O=C1OCC(c2ccccc2)O1
InChIInChI=1S/2C9H8O3/c2*10-9-11-6-8(12-9)7-4-2-1-3-5-7/h2*1-5,8H,6H2
InChIKeyRSHMEDZALNMSLG-UHFFFAOYSA-N
XLogP3.79
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(2-oxo-1,3-dioxolan-4-yl)phenyl]-1,3-dioxolan-2-one
CID 118347041
4-phenyl-1,3-dioxan-2-one
CID 14661659
4-(4-bromophenyl)-1,3-dioxolan-2-one
CID 66961495
4-[3-(trifluoromethyl)phenyl]-1,3-dioxolan-2-one
CID 102125689
(5S)-5-phenyl-1,4-dioxan-2-one
CID 101083967
[4-[(4S)-2-oxo-1,3-dioxolan-4-yl]phenyl] acetate
CID 125491560
2-phenyloxirane
CID 7276
5-phenyloxolane-2,3-dione
CID 14450727
3-ethenyl-5-phenyl-1,3-oxazolidin-2-one
CID 21291189
(2R,4S)-4-phenyl-1,3,2-dioxathiolane 2-oxide
CID 10921184
5-phenyloxolan-2-one
CID 13884
3,5-diphenyl-1,3-oxazolidin-2-one
CID 568810

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1,3-dioxolan-2-one?
The IUPAC name of 4-phenyl-1,3-dioxolan-2-one (CID 160714565) is 4-phenyl-1,3-dioxolan-2-one.
What is the SMILES notation for 4-phenyl-1,3-dioxolan-2-one?
The canonical SMILES for 4-phenyl-1,3-dioxolan-2-one is O=C1OCC(c2ccccc2)O1.O=C1OCC(c2ccccc2)O1.
What is the InChIKey of 4-phenyl-1,3-dioxolan-2-one?
The InChIKey is RSHMEDZALNMSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H8O3/c2*10-9-11-6-8(12-9)7-4-2-1-3-5-7/h2*1-5,8H,6H2.
What are the key properties of 4-phenyl-1,3-dioxolan-2-one?
4-phenyl-1,3-dioxolan-2-one has a molecular weight of 328.32 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1,3-dioxolan-2-one is sourced from PubChem (CID 160714565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).