4-[4-(2-oxo-1,3-dioxolan-4-yl)phenyl]-1,3-dioxolan-2-one

C12H10O6 — CID 118347041

IUPAC4-[4-(2-oxo-1,3-dioxolan-4-yl)phenyl]-1,3-dioxolan-2-one
SMILESO=C1OCC(c2ccc(C3COC(=O)O3)cc2)O1
InChIInChI=1S/C12H10O6/c13-11-15-5-9(17-11)7-1-2-8(4-3-7)10-6-16-12(14)18-10/h1-4,9-10H,5-6H2
InChIKeyKRHUQLCKUSQOSI-UHFFFAOYSA-N
MW250.21 g/mol
LogP2.10
Rot. Bonds2

About 4-[4-(2-oxo-1,3-dioxolan-4-yl)phenyl]-1,3-dioxolan-2-one

4-[4-(2-oxo-1,3-dioxolan-4-yl)phenyl]-1,3-dioxolan-2-one (PubChem CID 118347041) has the molecular formula C12H10O6 and a molecular weight of 250.21 g/mol. Its IUPAC name is 4-[4-(2-oxo-1,3-dioxolan-4-yl)phenyl]-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-[4-(2-oxo-1,3-dioxolan-4-yl)phenyl]-1,3-dioxolan-2-one
PubChem CID118347041
Molecular FormulaC12H10O6
Molecular Weight250.21 g/mol
Exact Mass250.05
IUPAC Name4-[4-(2-oxo-1,3-dioxolan-4-yl)phenyl]-1,3-dioxolan-2-one
SMILESO=C1OCC(c2ccc(C3COC(=O)O3)cc2)O1
InChIInChI=1S/C12H10O6/c13-11-15-5-9(17-11)7-1-2-8(4-3-7)10-6-16-12(14)18-10/h1-4,9-10H,5-6H2
InChIKeyKRHUQLCKUSQOSI-UHFFFAOYSA-N
XLogP2.10
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-bromophenyl)-1,3-dioxolan-2-one
CID 66961495
4-phenyl-1,3-dioxolan-2-one
CID 160714565
[4-[(4S)-2-oxo-1,3-dioxolan-4-yl]phenyl] acetate
CID 125491560
4-[3-(trifluoromethyl)phenyl]-1,3-dioxolan-2-one
CID 102125689
4-phenyl-1,3-dioxan-2-one
CID 14661659
4-[4-(4-hexylphenyl)-3-hydroxyphenyl]-1,3-dioxolan-2-one
CID 146215871
(2S)-2-[4-[(2S)-oxiran-2-yl]phenyl]oxirane
CID 91864912
3-(4-chlorophenyl)-2,3-dihydro-1,4-benzodioxine
CID 102390074
4-[3-(3-methylpyrazol-1-yl)-5-pentan-3-ylphenyl]-1,3-dioxolan-2-one
CID 155020320
CID 172774171
CID 172774171
(5S)-5-phenyl-1,4-dioxan-2-one
CID 101083967
4-(4-chlorophenyl)-6-methylidene-1,3-dioxan-2-one
CID 11499565

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-oxo-1,3-dioxolan-4-yl)phenyl]-1,3-dioxolan-2-one?
The IUPAC name of 4-[4-(2-oxo-1,3-dioxolan-4-yl)phenyl]-1,3-dioxolan-2-one (CID 118347041) is 4-[4-(2-oxo-1,3-dioxolan-4-yl)phenyl]-1,3-dioxolan-2-one.
What is the SMILES notation for 4-[4-(2-oxo-1,3-dioxolan-4-yl)phenyl]-1,3-dioxolan-2-one?
The canonical SMILES for 4-[4-(2-oxo-1,3-dioxolan-4-yl)phenyl]-1,3-dioxolan-2-one is O=C1OCC(c2ccc(C3COC(=O)O3)cc2)O1.
What is the InChIKey of 4-[4-(2-oxo-1,3-dioxolan-4-yl)phenyl]-1,3-dioxolan-2-one?
The InChIKey is KRHUQLCKUSQOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O6/c13-11-15-5-9(17-11)7-1-2-8(4-3-7)10-6-16-12(14)18-10/h1-4,9-10H,5-6H2.
What are the key properties of 4-[4-(2-oxo-1,3-dioxolan-4-yl)phenyl]-1,3-dioxolan-2-one?
4-[4-(2-oxo-1,3-dioxolan-4-yl)phenyl]-1,3-dioxolan-2-one has a molecular weight of 250.21 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-oxo-1,3-dioxolan-4-yl)phenyl]-1,3-dioxolan-2-one is sourced from PubChem (CID 118347041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).