(1R)-1-[(2R,4R)-4-tert-butyl-1,3-dioxan-2-yl]-1-phenylethanol

C16H24O3 — CID 101153102

IUPAC(1R)-1-[(2R,4R)-4-tert-butyl-1,3-dioxan-2-yl]-1-phenylethanol
SMILESCC(C)(C)[C@H]1CCO[C@@H]([C@](C)(O)c2ccccc2)O1
InChIInChI=1S/C16H24O3/c1-15(2,3)13-10-11-18-14(19-13)16(4,17)12-8-6-5-7-9-12/h5-9,13-14,17H,10-11H2,1-4H3/t13-,14-,16-/m1/s1
InChIKeyNMEDGSGNQBAJLI-IIAWOOMASA-N
MW264.37 g/mol
LogP3.07
Rot. Bonds2

About (1R)-1-[(2R,4R)-4-tert-butyl-1,3-dioxan-2-yl]-1-phenylethanol

(1R)-1-[(2R,4R)-4-tert-butyl-1,3-dioxan-2-yl]-1-phenylethanol (PubChem CID 101153102) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is (1R)-1-[(2R,4R)-4-tert-butyl-1,3-dioxan-2-yl]-1-phenylethanol.

Molecular Properties

Compound Name(1R)-1-[(2R,4R)-4-tert-butyl-1,3-dioxan-2-yl]-1-phenylethanol
PubChem CID101153102
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name(1R)-1-[(2R,4R)-4-tert-butyl-1,3-dioxan-2-yl]-1-phenylethanol
SMILESCC(C)(C)[C@H]1CCO[C@@H]([C@](C)(O)c2ccccc2)O1
InChIInChI=1S/C16H24O3/c1-15(2,3)13-10-11-18-14(19-13)16(4,17)12-8-6-5-7-9-12/h5-9,13-14,17H,10-11H2,1-4H3/t13-,14-,16-/m1/s1
InChIKeyNMEDGSGNQBAJLI-IIAWOOMASA-N
XLogP3.07
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R)-1-[(2R,4R)-4-tert-butyl-1,3-dioxan-2-yl]-1-phenylethanol 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

(1S)-1-[(2R,4S)-4-methyl-1,3-dioxan-2-yl]-1-phenylethanol
CID 101153103
1-(oxan-2-yl)-1-phenylethanol
CID 102596007
1-(oxiran-2-yl)-2-phenylpropan-2-ol
CID 11644018
(1R)-1-cyclopentyl-1-phenylethanol;sulfane
CID 158992083
1-[(2-methyloxolan-3-yl)amino]-2-phenylpropan-2-ol
CID 113290123
2-[(2R,5S)-5-phenyloxolan-2-yl]propan-2-ol
CID 11117220
(1S)-1-phenyl-1-[(2R)-pyrrolidin-2-yl]ethanol
CID 13068815
1-phenyl-1-piperidin-4-ylethanol
CID 54545036
1-[(2R,4R)-4-tert-butyl-1,3-dioxan-2-yl]ethanone
CID 101153094
1-(oxan-2-ylmethylamino)-2-phenylpropan-2-ol
CID 55068618
4-tert-butyl-2-phenyl-1,3-dioxolane
CID 13289090
1-(oxolan-3-yl)-1-phenylethanamine
CID 63563026

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2R,4R)-4-tert-butyl-1,3-dioxan-2-yl]-1-phenylethanol?
The IUPAC name of (1R)-1-[(2R,4R)-4-tert-butyl-1,3-dioxan-2-yl]-1-phenylethanol (CID 101153102) is (1R)-1-[(2R,4R)-4-tert-butyl-1,3-dioxan-2-yl]-1-phenylethanol.
What is the SMILES notation for (1R)-1-[(2R,4R)-4-tert-butyl-1,3-dioxan-2-yl]-1-phenylethanol?
The canonical SMILES for (1R)-1-[(2R,4R)-4-tert-butyl-1,3-dioxan-2-yl]-1-phenylethanol is CC(C)(C)[C@H]1CCO[C@@H]([C@](C)(O)c2ccccc2)O1.
What is the InChIKey of (1R)-1-[(2R,4R)-4-tert-butyl-1,3-dioxan-2-yl]-1-phenylethanol?
The InChIKey is NMEDGSGNQBAJLI-IIAWOOMASA-N. The full InChI is InChI=1S/C16H24O3/c1-15(2,3)13-10-11-18-14(19-13)16(4,17)12-8-6-5-7-9-12/h5-9,13-14,17H,10-11H2,1-4H3/t13-,14-,16-/m1/s1.
What are the key properties of (1R)-1-[(2R,4R)-4-tert-butyl-1,3-dioxan-2-yl]-1-phenylethanol?
(1R)-1-[(2R,4R)-4-tert-butyl-1,3-dioxan-2-yl]-1-phenylethanol has a molecular weight of 264.37 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2R,4R)-4-tert-butyl-1,3-dioxan-2-yl]-1-phenylethanol is sourced from PubChem (CID 101153102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).