2-[(4S,6S)-2-phenyl-6-[(2S)-1-phenylmethoxypropan-2-yl]-1,3-dioxan-4-yl]ethanol

C22H28O4 — CID 102517536

IUPAC2-[(4S,6S)-2-phenyl-6-[(2S)-1-phenylmethoxypropan-2-yl]-1,3-dioxan-4-yl]ethanol
SMILESC[C@@H](COCc1ccccc1)[C@@H]1C[C@H](CCO)OC(c2ccccc2)O1
InChIInChI=1S/C22H28O4/c1-17(15-24-16-18-8-4-2-5-9-18)21-14-20(12-13-23)25-22(26-21)19-10-6-3-7-11-19/h2-11,17,20-23H,12-16H2,1H3/t17-,20-,21-,22?/m0/s1
InChIKeyQXAZCQCJLYYQLQ-JCRWLZENSA-N
MW356.46 g/mol
LogP4.09
Rot. Bonds8

About 2-[(4S,6S)-2-phenyl-6-[(2S)-1-phenylmethoxypropan-2-yl]-1,3-dioxan-4-yl]ethanol

2-[(4S,6S)-2-phenyl-6-[(2S)-1-phenylmethoxypropan-2-yl]-1,3-dioxan-4-yl]ethanol (PubChem CID 102517536) has the molecular formula C22H28O4 and a molecular weight of 356.46 g/mol. Its IUPAC name is 2-[(4S,6S)-2-phenyl-6-[(2S)-1-phenylmethoxypropan-2-yl]-1,3-dioxan-4-yl]ethanol.

Molecular Properties

Compound Name2-[(4S,6S)-2-phenyl-6-[(2S)-1-phenylmethoxypropan-2-yl]-1,3-dioxan-4-yl]ethanol
PubChem CID102517536
Molecular FormulaC22H28O4
Molecular Weight356.46 g/mol
Exact Mass356.20
IUPAC Name2-[(4S,6S)-2-phenyl-6-[(2S)-1-phenylmethoxypropan-2-yl]-1,3-dioxan-4-yl]ethanol
SMILESC[C@@H](COCc1ccccc1)[C@@H]1C[C@H](CCO)OC(c2ccccc2)O1
InChIInChI=1S/C22H28O4/c1-17(15-24-16-18-8-4-2-5-9-18)21-14-20(12-13-23)25-22(26-21)19-10-6-3-7-11-19/h2-11,17,20-23H,12-16H2,1H3/t17-,20-,21-,22?/m0/s1
InChIKeyQXAZCQCJLYYQLQ-JCRWLZENSA-N
XLogP4.09
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(4S,6S)-2-phenyl-6-[(2S)-1-phenylmethoxypropan-2-yl]-1,3-dioxan-4-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (Z)-4-[(4S,6S)-2-phenyl-6-[(2S)-1-phenylmethoxypropan-2-yl]-1,3-dioxan-4-yl]but-2-enoate
CID 11015412
[(2S,3S,6S)-3-methyl-6-[(2R)-1-phenylmethoxypropan-2-yl]oxan-2-yl]methanol
CID 11140431
(4R,6S)-2,2-dimethyl-4-phenyl-6-[(2S)-1-phenylmethoxypropan-2-yl]-1,3-dioxane
CID 56651452
(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
2-[(4S,6S)-2,2-dimethyl-6-(phenylmethoxymethyl)-1,3-dioxan-4-yl]ethanol
CID 25058663
ethyl 2-[(4R,5S,6S)-5-methyl-2-phenyl-6-[(2S)-1-phenylmethoxypropan-2-yl]-1,3-dioxan-4-yl]acetate
CID 11080139
(2S,3S)-3-methyl-4-phenylmethoxy-1-[(2R,3S)-3-[(2S)-1-phenylmethoxypropan-2-yl]oxiran-2-yl]butan-2-ol
CID 11111788
(2S,3S,6S)-3-methyl-2-[(2E,4S)-4-methylhexa-2,5-dien-2-yl]-6-[(2R)-1-phenylmethoxypropan-2-yl]oxane
CID 11089163
(2R)-2-[(2S,3S,6S)-3-methyl-6-[(2R)-1-phenylmethoxypropan-2-yl]oxan-2-yl]pent-3-yn-2-ol
CID 10914512
(2S,3R,5S)-5-methoxy-2-(2-phenylethyl)-3-[(2S)-1-phenylmethoxypropan-2-yl]oxolane
CID 11256747
(3R,5S,6S)-3,5-dimethyl-6-[(2S)-1-phenylmethoxypropan-2-yl]oxan-2-one
CID 10989510
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108

Frequently Asked Questions

What is the IUPAC name of 2-[(4S,6S)-2-phenyl-6-[(2S)-1-phenylmethoxypropan-2-yl]-1,3-dioxan-4-yl]ethanol?
The IUPAC name of 2-[(4S,6S)-2-phenyl-6-[(2S)-1-phenylmethoxypropan-2-yl]-1,3-dioxan-4-yl]ethanol (CID 102517536) is 2-[(4S,6S)-2-phenyl-6-[(2S)-1-phenylmethoxypropan-2-yl]-1,3-dioxan-4-yl]ethanol.
What is the SMILES notation for 2-[(4S,6S)-2-phenyl-6-[(2S)-1-phenylmethoxypropan-2-yl]-1,3-dioxan-4-yl]ethanol?
The canonical SMILES for 2-[(4S,6S)-2-phenyl-6-[(2S)-1-phenylmethoxypropan-2-yl]-1,3-dioxan-4-yl]ethanol is C[C@@H](COCc1ccccc1)[C@@H]1C[C@H](CCO)OC(c2ccccc2)O1.
What is the InChIKey of 2-[(4S,6S)-2-phenyl-6-[(2S)-1-phenylmethoxypropan-2-yl]-1,3-dioxan-4-yl]ethanol?
The InChIKey is QXAZCQCJLYYQLQ-JCRWLZENSA-N. The full InChI is InChI=1S/C22H28O4/c1-17(15-24-16-18-8-4-2-5-9-18)21-14-20(12-13-23)25-22(26-21)19-10-6-3-7-11-19/h2-11,17,20-23H,12-16H2,1H3/t17-,20-,21-,22?/m0/s1.
What are the key properties of 2-[(4S,6S)-2-phenyl-6-[(2S)-1-phenylmethoxypropan-2-yl]-1,3-dioxan-4-yl]ethanol?
2-[(4S,6S)-2-phenyl-6-[(2S)-1-phenylmethoxypropan-2-yl]-1,3-dioxan-4-yl]ethanol has a molecular weight of 356.46 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S,6S)-2-phenyl-6-[(2S)-1-phenylmethoxypropan-2-yl]-1,3-dioxan-4-yl]ethanol is sourced from PubChem (CID 102517536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).