methyl 2-[(2R,4R,6R)-2-phenyl-6-(2-phenylethyl)-1,3-dioxan-4-yl]acetate

C21H24O4 — CID 10359912

IUPACmethyl 2-[(2R,4R,6R)-2-phenyl-6-(2-phenylethyl)-1,3-dioxan-4-yl]acetate
SMILESCOC(=O)C[C@H]1C[C@@H](CCc2ccccc2)O[C@@H](c2ccccc2)O1
InChIInChI=1S/C21H24O4/c1-23-20(22)15-19-14-18(13-12-16-8-4-2-5-9-16)24-21(25-19)17-10-6-3-7-11-17/h2-11,18-19,21H,12-15H2,1H3/t18-,19-,21-/m1/s1
InChIKeyYYJCZAHXXGPXCD-SFHLNBCPSA-N
MW340.42 g/mol
LogP4.06
Rot. Bonds6

About methyl 2-[(2R,4R,6R)-2-phenyl-6-(2-phenylethyl)-1,3-dioxan-4-yl]acetate

methyl 2-[(2R,4R,6R)-2-phenyl-6-(2-phenylethyl)-1,3-dioxan-4-yl]acetate (PubChem CID 10359912) has the molecular formula C21H24O4 and a molecular weight of 340.42 g/mol. Its IUPAC name is methyl 2-[(2R,4R,6R)-2-phenyl-6-(2-phenylethyl)-1,3-dioxan-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2R,4R,6R)-2-phenyl-6-(2-phenylethyl)-1,3-dioxan-4-yl]acetate
PubChem CID10359912
Molecular FormulaC21H24O4
Molecular Weight340.42 g/mol
Exact Mass340.17
IUPAC Namemethyl 2-[(2R,4R,6R)-2-phenyl-6-(2-phenylethyl)-1,3-dioxan-4-yl]acetate
SMILESCOC(=O)C[C@H]1C[C@@H](CCc2ccccc2)O[C@@H](c2ccccc2)O1
InChIInChI=1S/C21H24O4/c1-23-20(22)15-19-14-18(13-12-16-8-4-2-5-9-16)24-21(25-19)17-10-6-3-7-11-17/h2-11,18-19,21H,12-15H2,1H3/t18-,19-,21-/m1/s1
InChIKeyYYJCZAHXXGPXCD-SFHLNBCPSA-N
XLogP4.06
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[(2R,4R,6R)-2-phenyl-6-(2-phenylethyl)-1,3-dioxan-4-yl]acetate with MolForge

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Launch Full Analysis

Related Compounds

(2R,3R)-3-[Bis-(4-fluoro-phenyl)-methoxy]-8-oxa-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester
CID 44323488
(1R,2S,5S,10S,12E,14S,15S,16S,17S,18R)-1,17-Dihydroxy-10,18-dimethoxy-2,14,16-trimethyl-5-phenyl-4,19-dioxabicyclo(13.3.1)nonadec-12-en-3-one
CID 72725084
2,2-dimethyl-5-phenyl-7-(2-phenylethyl)-7,8-dihydro-5H-pyrano[4,3-d][1,3]dioxin-4-one
CID 46904948
2,2-dimethyl-7-phenyl-5-(2-phenylethyl)-7,8-dihydro-5H-pyrano[4,3-d][1,3]dioxin-4-one
CID 46904949
(1R,6E,13R,15S,16R,17S)-15-octoxy-16,17-bis(phenylmethoxy)-2,11,14-trioxabicyclo[11.4.0]heptadec-6-ene-3,10-dione
CID 46933696
(2S,3R)-3-[Bis-(4-fluoro-phenyl)-methoxy]-8-oxa-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester
CID 44323131
(2S,3S)-3-[Bis-(4-fluoro-phenyl)-methoxy]-8-oxa-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester
CID 44323133
(2R,3S)-3-[Bis-(4-fluoro-phenyl)-methoxy]-8-oxa-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester
CID 44323348
methyl 2-[(2R,4S,5S,6R)-4,5-dihydroxy-6-phenyloxan-2-yl]acetate
CID 16079978
(1S,9S)-9-butyl-5-phenyl-4,8,17-trioxatetracyclo[7.7.1.02,7.011,16]heptadeca-2(7),5,11,13,15-pentaen-3-one
CID 49858487
(2S,3S,4S,5R)-3,4,5-trihydroxy-6-(1-phenylethoxy)oxane-2-carboxylic acid
CID 54040250
(5S,7R)-5-(4-fluorophenyl)-2,2-dimethyl-7-(2-phenylmethoxyethyl)-7,8-dihydro-5H-pyrano[4,3-d][1,3]dioxin-4-one
CID 51360095

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R,4R,6R)-2-phenyl-6-(2-phenylethyl)-1,3-dioxan-4-yl]acetate?
The IUPAC name of methyl 2-[(2R,4R,6R)-2-phenyl-6-(2-phenylethyl)-1,3-dioxan-4-yl]acetate (CID 10359912) is methyl 2-[(2R,4R,6R)-2-phenyl-6-(2-phenylethyl)-1,3-dioxan-4-yl]acetate.
What is the SMILES notation for methyl 2-[(2R,4R,6R)-2-phenyl-6-(2-phenylethyl)-1,3-dioxan-4-yl]acetate?
The canonical SMILES for methyl 2-[(2R,4R,6R)-2-phenyl-6-(2-phenylethyl)-1,3-dioxan-4-yl]acetate is COC(=O)C[C@H]1C[C@@H](CCc2ccccc2)O[C@@H](c2ccccc2)O1.
What is the InChIKey of methyl 2-[(2R,4R,6R)-2-phenyl-6-(2-phenylethyl)-1,3-dioxan-4-yl]acetate?
The InChIKey is YYJCZAHXXGPXCD-SFHLNBCPSA-N. The full InChI is InChI=1S/C21H24O4/c1-23-20(22)15-19-14-18(13-12-16-8-4-2-5-9-16)24-21(25-19)17-10-6-3-7-11-17/h2-11,18-19,21H,12-15H2,1H3/t18-,19-,21-/m1/s1.
What are the key properties of methyl 2-[(2R,4R,6R)-2-phenyl-6-(2-phenylethyl)-1,3-dioxan-4-yl]acetate?
methyl 2-[(2R,4R,6R)-2-phenyl-6-(2-phenylethyl)-1,3-dioxan-4-yl]acetate has a molecular weight of 340.42 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R,4R,6R)-2-phenyl-6-(2-phenylethyl)-1,3-dioxan-4-yl]acetate is sourced from PubChem (CID 10359912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).