(3S)-3-(4-propylphenoxy)oxane

C14H20O2 — CID 178142370

IUPAC(3S)-3-(4-propylphenoxy)oxane
SMILESCCCc1ccc(O[C@H]2CCCOC2)cc1
InChIInChI=1S/C14H20O2/c1-2-4-12-6-8-13(9-7-12)16-14-5-3-10-15-11-14/h6-9,14H,2-5,10-11H2,1H3/t14-/m0/s1
InChIKeyKZBKWTVTUYJKTH-AWEZNQCLSA-N
MW220.31 g/mol
LogP3.20
Rot. Bonds4

About (3S)-3-(4-propylphenoxy)oxane

(3S)-3-(4-propylphenoxy)oxane (PubChem CID 178142370) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is (3S)-3-(4-propylphenoxy)oxane.

Molecular Properties

Compound Name(3S)-3-(4-propylphenoxy)oxane
PubChem CID178142370
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name(3S)-3-(4-propylphenoxy)oxane
SMILESCCCc1ccc(O[C@H]2CCCOC2)cc1
InChIInChI=1S/C14H20O2/c1-2-4-12-6-8-13(9-7-12)16-14-5-3-10-15-11-14/h6-9,14H,2-5,10-11H2,1H3/t14-/m0/s1
InChIKeyKZBKWTVTUYJKTH-AWEZNQCLSA-N
XLogP3.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclobutyloxy-4-propylbenzene
CID 178141621
(3R)-3-[4-(2-methylpropyl)phenoxy]oxane
CID 178142322
4-[4-(oxan-3-yloxy)phenyl]butanoic acid
CID 117415300
1-[[4-(oxan-3-yloxy)phenyl]methyl]cyclopropan-1-amine
CID 117371340
N-[[4-(oxolan-3-yloxy)phenyl]methyl]ethanamine
CID 63557924
3-(4-propylphenyl)oxane
CID 21248099
(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[2-[4-(oxan-3-yloxy)phenyl]ethyl]piperidine-3,4,5-triol
CID 157039648
1-[(1R,3R)-3-methylcyclopentyl]oxy-4-propylbenzene
CID 178142508
1-[4-(oxan-3-yloxy)phenyl]cyclohexan-1-amine
CID 117440934
N-ethyl-6-(oxan-3-yloxy)-2,3-dihydro-1-benzofuran-3-amine
CID 107134417
3-(4-fluoro-3-methylphenoxy)oxane
CID 107137923
N-[[3-fluoro-5-(oxan-3-yloxy)phenyl]methyl]ethanamine
CID 107134560

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-propylphenoxy)oxane?
The IUPAC name of (3S)-3-(4-propylphenoxy)oxane (CID 178142370) is (3S)-3-(4-propylphenoxy)oxane.
What is the SMILES notation for (3S)-3-(4-propylphenoxy)oxane?
The canonical SMILES for (3S)-3-(4-propylphenoxy)oxane is CCCc1ccc(O[C@H]2CCCOC2)cc1.
What is the InChIKey of (3S)-3-(4-propylphenoxy)oxane?
The InChIKey is KZBKWTVTUYJKTH-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H20O2/c1-2-4-12-6-8-13(9-7-12)16-14-5-3-10-15-11-14/h6-9,14H,2-5,10-11H2,1H3/t14-/m0/s1.
What are the key properties of (3S)-3-(4-propylphenoxy)oxane?
(3S)-3-(4-propylphenoxy)oxane has a molecular weight of 220.31 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-propylphenoxy)oxane is sourced from PubChem (CID 178142370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).