(3S)-3-(4-propan-2-ylphenoxy)oxolane

C13H18O2 — CID 59112216

IUPAC(3S)-3-(4-propan-2-ylphenoxy)oxolane
SMILESCC(C)c1ccc(O[C@H]2CCOC2)cc1
InChIInChI=1S/C13H18O2/c1-10(2)11-3-5-12(6-4-11)15-13-7-8-14-9-13/h3-6,10,13H,7-9H2,1-2H3/t13-/m0/s1
InChIKeyCEENRPYSZFSDEL-ZDUSSCGKSA-N
MW206.29 g/mol
LogP2.98
Rot. Bonds3

About (3S)-3-(4-propan-2-ylphenoxy)oxolane

(3S)-3-(4-propan-2-ylphenoxy)oxolane (PubChem CID 59112216) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is (3S)-3-(4-propan-2-ylphenoxy)oxolane.

Molecular Properties

Compound Name(3S)-3-(4-propan-2-ylphenoxy)oxolane
PubChem CID59112216
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name(3S)-3-(4-propan-2-ylphenoxy)oxolane
SMILESCC(C)c1ccc(O[C@H]2CCOC2)cc1
InChIInChI=1S/C13H18O2/c1-10(2)11-3-5-12(6-4-11)15-13-7-8-14-9-13/h3-6,10,13H,7-9H2,1-2H3/t13-/m0/s1
InChIKeyCEENRPYSZFSDEL-ZDUSSCGKSA-N
XLogP2.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(oxolan-3-yloxy)phenyl]ethanamine
CID 63556855
(1S)-1-[4-(oxolan-3-yloxy)phenyl]ethanamine;hydrochloride
CID 175741673
(3S)-3-(3-methoxy-5-propan-2-ylphenoxy)oxolane
CID 59511891
(3R)-3-(3-methoxy-5-propan-2-ylphenoxy)oxolane
CID 59511904
(3R)-3-(4-iodophenoxy)oxolane
CID 155595271
1-cyclopentyloxy-4-propan-2-ylbenzene
CID 10442918
(1R)-1-[3-[(3R)-oxolan-3-yl]oxyphenyl]ethanamine
CID 67021938
(1S,2R)-2-amino-2-(3,4-dichlorophenyl)-1-[4-(oxolan-3-yloxy)phenyl]ethanol
CID 46892294
(1R,2S)-2-amino-2-(3,4-dichlorophenyl)-1-[4-(oxolan-3-yloxy)phenyl]ethanol
CID 46892293
4-[(3R)-oxolan-3-yl]oxybenzoic acid
CID 95979365
(1S)-1-[5-(oxolan-3-yloxy)-2-pyridinyl]ethanamine
CID 83123778
1-(3,4-dimethylcyclohexyl)oxy-4-propan-2-ylbenzene
CID 64765498

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-propan-2-ylphenoxy)oxolane?
The IUPAC name of (3S)-3-(4-propan-2-ylphenoxy)oxolane (CID 59112216) is (3S)-3-(4-propan-2-ylphenoxy)oxolane.
What is the SMILES notation for (3S)-3-(4-propan-2-ylphenoxy)oxolane?
The canonical SMILES for (3S)-3-(4-propan-2-ylphenoxy)oxolane is CC(C)c1ccc(O[C@H]2CCOC2)cc1.
What is the InChIKey of (3S)-3-(4-propan-2-ylphenoxy)oxolane?
The InChIKey is CEENRPYSZFSDEL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H18O2/c1-10(2)11-3-5-12(6-4-11)15-13-7-8-14-9-13/h3-6,10,13H,7-9H2,1-2H3/t13-/m0/s1.
What are the key properties of (3S)-3-(4-propan-2-ylphenoxy)oxolane?
(3S)-3-(4-propan-2-ylphenoxy)oxolane has a molecular weight of 206.29 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-propan-2-ylphenoxy)oxolane is sourced from PubChem (CID 59112216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).