(2R,3S)-3-phenyl-2-propan-2-yloxyoxane

C14H20O2 — CID 101393454

IUPAC(2R,3S)-3-phenyl-2-propan-2-yloxyoxane
SMILESCC(C)O[C@H]1OCCC[C@H]1c1ccccc1
InChIInChI=1S/C14H20O2/c1-11(2)16-14-13(9-6-10-15-14)12-7-4-3-5-8-12/h3-5,7-8,11,13-14H,6,9-10H2,1-2H3/t13-,14+/m0/s1
InChIKeyDAZXXWCAFZVNSM-UONOGXRCSA-N
MW220.31 g/mol
LogP3.33
Rot. Bonds3

About (2R,3S)-3-phenyl-2-propan-2-yloxyoxane

(2R,3S)-3-phenyl-2-propan-2-yloxyoxane (PubChem CID 101393454) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is (2R,3S)-3-phenyl-2-propan-2-yloxyoxane.

Molecular Properties

Compound Name(2R,3S)-3-phenyl-2-propan-2-yloxyoxane
PubChem CID101393454
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name(2R,3S)-3-phenyl-2-propan-2-yloxyoxane
SMILESCC(C)O[C@H]1OCCC[C@H]1c1ccccc1
InChIInChI=1S/C14H20O2/c1-11(2)16-14-13(9-6-10-15-14)12-7-4-3-5-8-12/h3-5,7-8,11,13-14H,6,9-10H2,1-2H3/t13-,14+/m0/s1
InChIKeyDAZXXWCAFZVNSM-UONOGXRCSA-N
XLogP3.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-phenyl-2-propan-2-yloxolane
CID 157227826
(2R,3R)-3-phenyloxane-2-carboxylic acid
CID 136589536
cis-(1R,2R)-N-[1-(oxan-3-yl)ethyl]-2-phenylcyclopropan-1-amine
CID 167856974
N,N-dimethylmethanamine;2-phenyloxolane
CID 71271242
(2S)-2-[(1S)-2-methyl-1-phenylpropyl]oxolane
CID 118371657
(2R,3S)-2-phenyloxan-3-amine
CID 131044940
(2S)-2-[(1S)-1-phenylethyl]oxolane
CID 118374007
N,N-dimethyl-2-phenoxyoxan-3-amine
CID 3049304
(2-methylcyclopentyl)benzene
CID 12600454
[2-(1-bromo-2-methylpropyl)cyclohexyl]benzene
CID 105403875
N,N-dimethyl-1-(2-phenylcyclohexyl)ethanamine
CID 70492247
(2S,3S)-N-methyl-2-phenyloxan-3-amine
CID 95562331

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-phenyl-2-propan-2-yloxyoxane?
The IUPAC name of (2R,3S)-3-phenyl-2-propan-2-yloxyoxane (CID 101393454) is (2R,3S)-3-phenyl-2-propan-2-yloxyoxane.
What is the SMILES notation for (2R,3S)-3-phenyl-2-propan-2-yloxyoxane?
The canonical SMILES for (2R,3S)-3-phenyl-2-propan-2-yloxyoxane is CC(C)O[C@H]1OCCC[C@H]1c1ccccc1.
What is the InChIKey of (2R,3S)-3-phenyl-2-propan-2-yloxyoxane?
The InChIKey is DAZXXWCAFZVNSM-UONOGXRCSA-N. The full InChI is InChI=1S/C14H20O2/c1-11(2)16-14-13(9-6-10-15-14)12-7-4-3-5-8-12/h3-5,7-8,11,13-14H,6,9-10H2,1-2H3/t13-,14+/m0/s1.
What are the key properties of (2R,3S)-3-phenyl-2-propan-2-yloxyoxane?
(2R,3S)-3-phenyl-2-propan-2-yloxyoxane has a molecular weight of 220.31 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-phenyl-2-propan-2-yloxyoxane is sourced from PubChem (CID 101393454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).