(4R,6S)-2,2-dimethyl-4-phenyl-6-[(2S)-1-phenylmethoxypropan-2-yl]-1,3-dioxane

C22H28O3 — CID 56651452

IUPAC(4R,6S)-2,2-dimethyl-4-phenyl-6-[(2S)-1-phenylmethoxypropan-2-yl]-1,3-dioxane
SMILESC[C@@H](COCc1ccccc1)[C@@H]1C[C@H](c2ccccc2)OC(C)(C)O1
InChIInChI=1S/C22H28O3/c1-17(15-23-16-18-10-6-4-7-11-18)20-14-21(25-22(2,3)24-20)19-12-8-5-9-13-19/h4-13,17,20-21H,14-16H2,1-3H3/t17-,20-,21+/m0/s1
InChIKeyNSIROFUMJYJPTK-DZFGPLHGSA-N
MW340.46 g/mol
LogP5.12
Rot. Bonds6

About (4R,6S)-2,2-dimethyl-4-phenyl-6-[(2S)-1-phenylmethoxypropan-2-yl]-1,3-dioxane

(4R,6S)-2,2-dimethyl-4-phenyl-6-[(2S)-1-phenylmethoxypropan-2-yl]-1,3-dioxane (PubChem CID 56651452) has the molecular formula C22H28O3 and a molecular weight of 340.46 g/mol. Its IUPAC name is (4R,6S)-2,2-dimethyl-4-phenyl-6-[(2S)-1-phenylmethoxypropan-2-yl]-1,3-dioxane.

Molecular Properties

Compound Name(4R,6S)-2,2-dimethyl-4-phenyl-6-[(2S)-1-phenylmethoxypropan-2-yl]-1,3-dioxane
PubChem CID56651452
Molecular FormulaC22H28O3
Molecular Weight340.46 g/mol
Exact Mass340.20
IUPAC Name(4R,6S)-2,2-dimethyl-4-phenyl-6-[(2S)-1-phenylmethoxypropan-2-yl]-1,3-dioxane
SMILESC[C@@H](COCc1ccccc1)[C@@H]1C[C@H](c2ccccc2)OC(C)(C)O1
InChIInChI=1S/C22H28O3/c1-17(15-23-16-18-10-6-4-7-11-18)20-14-21(25-22(2,3)24-20)19-12-8-5-9-13-19/h4-13,17,20-21H,14-16H2,1-3H3/t17-,20-,21+/m0/s1
InChIKeyNSIROFUMJYJPTK-DZFGPLHGSA-N
XLogP5.12
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.46
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4R,6S)-2,2-dimethyl-4-phenyl-6-[(2S)-1-phenylmethoxypropan-2-yl]-1,3-dioxane with MolForge

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Launch Full Analysis

Related Compounds

(4R)-2,2-dimethyl-4-[(2S)-4-phenylmethoxybutan-2-yl]-1,3-dioxolane
CID 71534406
(4S)-4-[(1R)-1-fluoro-2-phenylmethoxyethyl]-2,2-dimethyl-1,3-dioxolane
CID 140879278
2-[(4S,6S)-2-phenyl-6-[(2S)-1-phenylmethoxypropan-2-yl]-1,3-dioxan-4-yl]ethanol
CID 102517536
(2S,3aR,6R,7aR)-2-methoxy-2-methyl-6-[(2S)-1-phenylmethoxypropan-2-yl]-3a,6,7,7a-tetrahydro-3H-furo[3,2-c]pyran-4-one
CID 10892992
(3aR,5S,6aR)-5-[(1R)-1,2-bis(phenylmethoxy)ethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 69191047
(3R,7R,8aR)-3-phenyl-7-[(2R)-1-phenylmethoxypropan-2-yl]-3,7,8,8a-tetrahydro-2H-[1,3]oxazolo[3,2-c][1,3]oxazin-5-one
CID 100968491
[(2S,3S,6S)-3-methyl-6-[(2R)-1-phenylmethoxypropan-2-yl]oxan-2-yl]methanol
CID 11140431
(3R,4R)-3-methyl-4-[(2R)-1-phenylmethoxypropan-2-yl]oxetan-2-one
CID 10537649
(4R,6S)-4-tert-butyl-2,2-dimethyl-6-phenyl-1,3-dioxane
CID 10083371
(2R)-1-[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]propan-2-ol
CID 71475919
(4S,6R)-2,2-dimethyl-4-[(1R)-1-[(2R)-oxiran-2-yl]prop-2-enyl]-6-(phenylmethoxymethyl)-1,3-dioxane
CID 101488085
(1R)-1-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-phenylmethoxyethanol
CID 100964347

Frequently Asked Questions

What is the IUPAC name of (4R,6S)-2,2-dimethyl-4-phenyl-6-[(2S)-1-phenylmethoxypropan-2-yl]-1,3-dioxane?
The IUPAC name of (4R,6S)-2,2-dimethyl-4-phenyl-6-[(2S)-1-phenylmethoxypropan-2-yl]-1,3-dioxane (CID 56651452) is (4R,6S)-2,2-dimethyl-4-phenyl-6-[(2S)-1-phenylmethoxypropan-2-yl]-1,3-dioxane.
What is the SMILES notation for (4R,6S)-2,2-dimethyl-4-phenyl-6-[(2S)-1-phenylmethoxypropan-2-yl]-1,3-dioxane?
The canonical SMILES for (4R,6S)-2,2-dimethyl-4-phenyl-6-[(2S)-1-phenylmethoxypropan-2-yl]-1,3-dioxane is C[C@@H](COCc1ccccc1)[C@@H]1C[C@H](c2ccccc2)OC(C)(C)O1.
What is the InChIKey of (4R,6S)-2,2-dimethyl-4-phenyl-6-[(2S)-1-phenylmethoxypropan-2-yl]-1,3-dioxane?
The InChIKey is NSIROFUMJYJPTK-DZFGPLHGSA-N. The full InChI is InChI=1S/C22H28O3/c1-17(15-23-16-18-10-6-4-7-11-18)20-14-21(25-22(2,3)24-20)19-12-8-5-9-13-19/h4-13,17,20-21H,14-16H2,1-3H3/t17-,20-,21+/m0/s1.
What are the key properties of (4R,6S)-2,2-dimethyl-4-phenyl-6-[(2S)-1-phenylmethoxypropan-2-yl]-1,3-dioxane?
(4R,6S)-2,2-dimethyl-4-phenyl-6-[(2S)-1-phenylmethoxypropan-2-yl]-1,3-dioxane has a molecular weight of 340.46 g/mol, XLogP of 5.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S)-2,2-dimethyl-4-phenyl-6-[(2S)-1-phenylmethoxypropan-2-yl]-1,3-dioxane is sourced from PubChem (CID 56651452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).