(3R)-3-[4-(2-methylpropyl)phenoxy]oxane

C15H22O2 — CID 178142322

IUPAC(3R)-3-[4-(2-methylpropyl)phenoxy]oxane
SMILESCC(C)Cc1ccc(O[C@@H]2CCCOC2)cc1
InChIInChI=1S/C15H22O2/c1-12(2)10-13-5-7-14(8-6-13)17-15-4-3-9-16-11-15/h5-8,12,15H,3-4,9-11H2,1-2H3/t15-/m1/s1
InChIKeyPYLPWTODVPDQMA-OAHLLOKOSA-N
MW234.34 g/mol
LogP3.44
Rot. Bonds4

About (3R)-3-[4-(2-methylpropyl)phenoxy]oxane

(3R)-3-[4-(2-methylpropyl)phenoxy]oxane (PubChem CID 178142322) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (3R)-3-[4-(2-methylpropyl)phenoxy]oxane.

Molecular Properties

Compound Name(3R)-3-[4-(2-methylpropyl)phenoxy]oxane
PubChem CID178142322
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(3R)-3-[4-(2-methylpropyl)phenoxy]oxane
SMILESCC(C)Cc1ccc(O[C@@H]2CCCOC2)cc1
InChIInChI=1S/C15H22O2/c1-12(2)10-13-5-7-14(8-6-13)17-15-4-3-9-16-11-15/h5-8,12,15H,3-4,9-11H2,1-2H3/t15-/m1/s1
InChIKeyPYLPWTODVPDQMA-OAHLLOKOSA-N
XLogP3.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(4-propylphenoxy)oxane
CID 178142370
1-[[4-(oxan-3-yloxy)phenyl]methyl]cyclopropan-1-amine
CID 117371340
4-[4-(oxan-3-yloxy)phenyl]butanoic acid
CID 117415300
1-(4-cyclobutyloxyphenyl)propan-2-ol
CID 117295049
1-(3-methylcyclopentyl)oxy-4-(2-methylpropyl)benzene
CID 178142044
1-(4-cyclopentyloxyphenyl)propan-2-ol
CID 80502782
(3S)-3-(4-propan-2-ylphenoxy)oxolane
CID 59112216
N-[[2-bromo-5-(oxan-3-yloxy)phenyl]methyl]-2-methylpropan-1-amine
CID 107134487
(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[2-[4-(oxan-3-yloxy)phenyl]ethyl]piperidine-3,4,5-triol
CID 157039648
1-[4-(oxan-3-yloxy)phenyl]cyclohexan-1-amine
CID 117440934
1-[4-methoxy-2-(oxan-3-yloxy)phenyl]propan-2-amine
CID 107137128
1-[4-(oxolan-3-yloxy)phenyl]ethanamine
CID 63556855

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-(2-methylpropyl)phenoxy]oxane?
The IUPAC name of (3R)-3-[4-(2-methylpropyl)phenoxy]oxane (CID 178142322) is (3R)-3-[4-(2-methylpropyl)phenoxy]oxane.
What is the SMILES notation for (3R)-3-[4-(2-methylpropyl)phenoxy]oxane?
The canonical SMILES for (3R)-3-[4-(2-methylpropyl)phenoxy]oxane is CC(C)Cc1ccc(O[C@@H]2CCCOC2)cc1.
What is the InChIKey of (3R)-3-[4-(2-methylpropyl)phenoxy]oxane?
The InChIKey is PYLPWTODVPDQMA-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H22O2/c1-12(2)10-13-5-7-14(8-6-13)17-15-4-3-9-16-11-15/h5-8,12,15H,3-4,9-11H2,1-2H3/t15-/m1/s1.
What are the key properties of (3R)-3-[4-(2-methylpropyl)phenoxy]oxane?
(3R)-3-[4-(2-methylpropyl)phenoxy]oxane has a molecular weight of 234.34 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-(2-methylpropyl)phenoxy]oxane is sourced from PubChem (CID 178142322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).