2,5-dimethyl-2-phenyl-1,3-dioxolan-4-one

C11H12O3 — CID 14546285

IUPAC2,5-dimethyl-2-phenyl-1,3-dioxolan-4-one
SMILESCC1OC(C)(c2ccccc2)OC1=O
InChIInChI=1S/C11H12O3/c1-8-10(12)14-11(2,13-8)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKeyCROVNHVHOIMMOR-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.82
Rot. Bonds1

About 2,5-dimethyl-2-phenyl-1,3-dioxolan-4-one

2,5-dimethyl-2-phenyl-1,3-dioxolan-4-one (PubChem CID 14546285) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 2,5-dimethyl-2-phenyl-1,3-dioxolan-4-one.

Molecular Properties

Compound Name2,5-dimethyl-2-phenyl-1,3-dioxolan-4-one
PubChem CID14546285
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name2,5-dimethyl-2-phenyl-1,3-dioxolan-4-one
SMILESCC1OC(C)(c2ccccc2)OC1=O
InChIInChI=1S/C11H12O3/c1-8-10(12)14-11(2,13-8)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKeyCROVNHVHOIMMOR-UHFFFAOYSA-N
XLogP1.82
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 3-phenylglycidate
CID 8469
Benzyl butyrate
CID 7650
1-Phenylethyl propionate
CID 8432
Benzyl propionate
CID 31219
1-Phenylethyl Acetate
CID 62341
Benzyl isobutyrate
CID 7646
Methoxyphenylacetic acid
CID 107202
1-Phenylethyl 2-methylpropanoate
CID 569214
alpha-Methylbenzyl butyrate
CID 570574
Benzaldehyde propylene glycol acetal
CID 595928
1-Phenylpropyl butyrate
CID 61447
Benzyl lactate
CID 98054

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-2-phenyl-1,3-dioxolan-4-one?
The IUPAC name of 2,5-dimethyl-2-phenyl-1,3-dioxolan-4-one (CID 14546285) is 2,5-dimethyl-2-phenyl-1,3-dioxolan-4-one.
What is the SMILES notation for 2,5-dimethyl-2-phenyl-1,3-dioxolan-4-one?
The canonical SMILES for 2,5-dimethyl-2-phenyl-1,3-dioxolan-4-one is CC1OC(C)(c2ccccc2)OC1=O.
What is the InChIKey of 2,5-dimethyl-2-phenyl-1,3-dioxolan-4-one?
The InChIKey is CROVNHVHOIMMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-8-10(12)14-11(2,13-8)9-6-4-3-5-7-9/h3-8H,1-2H3.
What are the key properties of 2,5-dimethyl-2-phenyl-1,3-dioxolan-4-one?
2,5-dimethyl-2-phenyl-1,3-dioxolan-4-one has a molecular weight of 192.21 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-2-phenyl-1,3-dioxolan-4-one is sourced from PubChem (CID 14546285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).