2,5,5-trimethyl-2-phenoxy-1,3-dioxolan-4-one

C12H14O4 — CID 121012927

IUPAC2,5,5-trimethyl-2-phenoxy-1,3-dioxolan-4-one
SMILESCC1(Oc2ccccc2)OC(=O)C(C)(C)O1
InChIInChI=1S/C12H14O4/c1-11(2)10(13)15-12(3,16-11)14-9-7-5-4-6-8-9/h4-8H,1-3H3
InChIKeySZBFGGAJNDKPOH-UHFFFAOYSA-N
MW222.24 g/mol
LogP2.09
Rot. Bonds2

About 2,5,5-trimethyl-2-phenoxy-1,3-dioxolan-4-one

2,5,5-trimethyl-2-phenoxy-1,3-dioxolan-4-one (PubChem CID 121012927) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2,5,5-trimethyl-2-phenoxy-1,3-dioxolan-4-one.

Molecular Properties

Compound Name2,5,5-trimethyl-2-phenoxy-1,3-dioxolan-4-one
PubChem CID121012927
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Name2,5,5-trimethyl-2-phenoxy-1,3-dioxolan-4-one
SMILESCC1(Oc2ccccc2)OC(=O)C(C)(C)O1
InChIInChI=1S/C12H14O4/c1-11(2)10(13)15-12(3,16-11)14-9-7-5-4-6-8-9/h4-8H,1-3H3
InChIKeySZBFGGAJNDKPOH-UHFFFAOYSA-N
XLogP2.09
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 19360932
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CID 39353102
(5S)-2,2,5-trimethyl-5-phenyl-1,3-dioxolan-4-one
CID 129405830
2,2-diphenoxy-1,3-benzodioxole
CID 71335520
3-phenoxy-3-phenyloxetan-2-one
CID 150574361
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CID 23416155
benzene;3,3-dimethyl-2-benzofuran-1-one;ethane;methoxymethane
CID 91422174
1-methyl-1-phenoxycycloheptane
CID 101026780
3,3-dimethyl-5-phenoxy-7,8-diphenyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]non-7-en-2-one
CID 23416904
5,5-dimethyl-3-(4-phenoxybutyl)-1,3-oxazolidine-2,4-dione
CID 72893219
5-ethyl-3-phenoxy-3-phenyloxolan-2-one
CID 150715290
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Frequently Asked Questions

What is the IUPAC name of 2,5,5-trimethyl-2-phenoxy-1,3-dioxolan-4-one?
The IUPAC name of 2,5,5-trimethyl-2-phenoxy-1,3-dioxolan-4-one (CID 121012927) is 2,5,5-trimethyl-2-phenoxy-1,3-dioxolan-4-one.
What is the SMILES notation for 2,5,5-trimethyl-2-phenoxy-1,3-dioxolan-4-one?
The canonical SMILES for 2,5,5-trimethyl-2-phenoxy-1,3-dioxolan-4-one is CC1(Oc2ccccc2)OC(=O)C(C)(C)O1.
What is the InChIKey of 2,5,5-trimethyl-2-phenoxy-1,3-dioxolan-4-one?
The InChIKey is SZBFGGAJNDKPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4/c1-11(2)10(13)15-12(3,16-11)14-9-7-5-4-6-8-9/h4-8H,1-3H3.
What are the key properties of 2,5,5-trimethyl-2-phenoxy-1,3-dioxolan-4-one?
2,5,5-trimethyl-2-phenoxy-1,3-dioxolan-4-one has a molecular weight of 222.24 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-trimethyl-2-phenoxy-1,3-dioxolan-4-one is sourced from PubChem (CID 121012927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).