(2R,5R)-2-methyl-2,5-diphenyl-1,3-dioxolan-4-one

C16H14O3 — CID 102069658

IUPAC(2R,5R)-2-methyl-2,5-diphenyl-1,3-dioxolan-4-one
SMILESC[C@]1(c2ccccc2)OC(=O)[C@@H](c2ccccc2)O1
InChIInChI=1S/C16H14O3/c1-16(13-10-6-3-7-11-13)18-14(15(17)19-16)12-8-4-2-5-9-12/h2-11,14H,1H3/t14-,16-/m1/s1
InChIKeyQCRFXTDPKONTGQ-GDBMZVCRSA-N
MW254.29 g/mol
LogP3.17
Rot. Bonds2

About (2R,5R)-2-methyl-2,5-diphenyl-1,3-dioxolan-4-one

(2R,5R)-2-methyl-2,5-diphenyl-1,3-dioxolan-4-one (PubChem CID 102069658) has the molecular formula C16H14O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is (2R,5R)-2-methyl-2,5-diphenyl-1,3-dioxolan-4-one.

Molecular Properties

Compound Name(2R,5R)-2-methyl-2,5-diphenyl-1,3-dioxolan-4-one
PubChem CID102069658
Molecular FormulaC16H14O3
Molecular Weight254.29 g/mol
Exact Mass254.09
IUPAC Name(2R,5R)-2-methyl-2,5-diphenyl-1,3-dioxolan-4-one
SMILESC[C@]1(c2ccccc2)OC(=O)[C@@H](c2ccccc2)O1
InChIInChI=1S/C16H14O3/c1-16(13-10-6-3-7-11-13)18-14(15(17)19-16)12-8-4-2-5-9-12/h2-11,14H,1H3/t14-,16-/m1/s1
InChIKeyQCRFXTDPKONTGQ-GDBMZVCRSA-N
XLogP3.17
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethyl-2-phenyl-1,3-dioxolan-4-one
CID 14546285
(2S,6S)-6-methyl-2-phenyl-1,4-dioxaspiro[4.5]decan-3-one
CID 101235287
(2R,5S,7S)-7-methyl-2-phenyl-1,4-dioxaspiro[4.5]decan-3-one
CID 7559548
(3R,6S)-3,6-diphenyl-1,4-dioxane-2,5-dione
CID 101432934
(3R,6R)-3,6-diphenyl-1,4-dioxane-2,5-dione
CID 101432935
(2R,3R)-2-methyl-2,3-diphenyloxirane
CID 11031103
(5R)-2,2-dimethyl-5-(4-phenylmethoxyphenyl)-1,3-dioxolan-4-one
CID 11066450
2,2-dimethyl-5-(4-phenylmethoxyphenyl)-1,3-dioxolan-4-one
CID 11808654
3-hydroxy-5,5-dimethyl-4-phenyloxolan-2-one
CID 18436228
3-hydroxy-5-methyl-5-phenyloxolan-2-one
CID 12521154
(2S,5R)-3a-methyl-2,5,6a-triphenyl-2,3,4,5-tetrahydrofuro[2,3-b]furan
CID 23238357
(3S,5S)-3,5-dimethyl-5-phenyloxolan-2-one
CID 11745429

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2-methyl-2,5-diphenyl-1,3-dioxolan-4-one?
The IUPAC name of (2R,5R)-2-methyl-2,5-diphenyl-1,3-dioxolan-4-one (CID 102069658) is (2R,5R)-2-methyl-2,5-diphenyl-1,3-dioxolan-4-one.
What is the SMILES notation for (2R,5R)-2-methyl-2,5-diphenyl-1,3-dioxolan-4-one?
The canonical SMILES for (2R,5R)-2-methyl-2,5-diphenyl-1,3-dioxolan-4-one is C[C@]1(c2ccccc2)OC(=O)[C@@H](c2ccccc2)O1.
What is the InChIKey of (2R,5R)-2-methyl-2,5-diphenyl-1,3-dioxolan-4-one?
The InChIKey is QCRFXTDPKONTGQ-GDBMZVCRSA-N. The full InChI is InChI=1S/C16H14O3/c1-16(13-10-6-3-7-11-13)18-14(15(17)19-16)12-8-4-2-5-9-12/h2-11,14H,1H3/t14-,16-/m1/s1.
What are the key properties of (2R,5R)-2-methyl-2,5-diphenyl-1,3-dioxolan-4-one?
(2R,5R)-2-methyl-2,5-diphenyl-1,3-dioxolan-4-one has a molecular weight of 254.29 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2-methyl-2,5-diphenyl-1,3-dioxolan-4-one is sourced from PubChem (CID 102069658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).