(3S)-3-(3-methoxy-5-propan-2-ylphenoxy)oxolane

C14H20O3 — CID 59511891

IUPAC(3S)-3-(3-methoxy-5-propan-2-ylphenoxy)oxolane
SMILESCOc1cc(O[C@H]2CCOC2)cc(C(C)C)c1
InChIInChI=1S/C14H20O3/c1-10(2)11-6-13(15-3)8-14(7-11)17-12-4-5-16-9-12/h6-8,10,12H,4-5,9H2,1-3H3/t12-/m0/s1
InChIKeyBXWCEOVMJYAYOB-LBPRGKRZSA-N
MW236.31 g/mol
LogP2.99
Rot. Bonds4

About (3S)-3-(3-methoxy-5-propan-2-ylphenoxy)oxolane

(3S)-3-(3-methoxy-5-propan-2-ylphenoxy)oxolane (PubChem CID 59511891) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is (3S)-3-(3-methoxy-5-propan-2-ylphenoxy)oxolane.

Molecular Properties

Compound Name(3S)-3-(3-methoxy-5-propan-2-ylphenoxy)oxolane
PubChem CID59511891
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name(3S)-3-(3-methoxy-5-propan-2-ylphenoxy)oxolane
SMILESCOc1cc(O[C@H]2CCOC2)cc(C(C)C)c1
InChIInChI=1S/C14H20O3/c1-10(2)11-6-13(15-3)8-14(7-11)17-12-4-5-16-9-12/h6-8,10,12H,4-5,9H2,1-3H3/t12-/m0/s1
InChIKeyBXWCEOVMJYAYOB-LBPRGKRZSA-N
XLogP2.99
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(3-methoxy-5-propan-2-ylphenoxy)oxolane
CID 59511904
3-methoxy-5-[(3S)-oxolan-3-yl]oxyphenol
CID 170566550
(3S)-3-(4-propan-2-ylphenoxy)oxolane
CID 59112216
[3-methoxy-5-(oxolan-3-yloxy)phenyl]methanamine
CID 103565975
(1R)-1-[3-[(3R)-oxolan-3-yl]oxyphenyl]ethanamine
CID 67021938
4-(3-propan-2-ylphenoxy)oxane
CID 126724587
1-[4-(oxolan-3-yloxy)phenyl]ethanamine
CID 63556855
(1S)-1-[4-(oxolan-3-yloxy)phenyl]ethanamine;hydrochloride
CID 175741673
2-(oxolan-3-yloxy)-5-propan-2-yl-3-(trifluoromethyl)pyridine
CID 167302803
2-methoxy-4-[(3S)-oxolan-3-yl]oxyaniline
CID 166611371
2-[3-methoxy-4-(oxolan-3-yloxy)phenyl]propan-1-amine
CID 115005127
(3S)-3-(2-methoxyphenoxy)oxolane
CID 141103497

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-methoxy-5-propan-2-ylphenoxy)oxolane?
The IUPAC name of (3S)-3-(3-methoxy-5-propan-2-ylphenoxy)oxolane (CID 59511891) is (3S)-3-(3-methoxy-5-propan-2-ylphenoxy)oxolane.
What is the SMILES notation for (3S)-3-(3-methoxy-5-propan-2-ylphenoxy)oxolane?
The canonical SMILES for (3S)-3-(3-methoxy-5-propan-2-ylphenoxy)oxolane is COc1cc(O[C@H]2CCOC2)cc(C(C)C)c1.
What is the InChIKey of (3S)-3-(3-methoxy-5-propan-2-ylphenoxy)oxolane?
The InChIKey is BXWCEOVMJYAYOB-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20O3/c1-10(2)11-6-13(15-3)8-14(7-11)17-12-4-5-16-9-12/h6-8,10,12H,4-5,9H2,1-3H3/t12-/m0/s1.
What are the key properties of (3S)-3-(3-methoxy-5-propan-2-ylphenoxy)oxolane?
(3S)-3-(3-methoxy-5-propan-2-ylphenoxy)oxolane has a molecular weight of 236.31 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3-methoxy-5-propan-2-ylphenoxy)oxolane is sourced from PubChem (CID 59511891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).