2-(1-phenylpropoxy)oxane

C14H20O2 — CID 11148725

IUPAC2-(1-phenylpropoxy)oxane
SMILESCCC(OC1CCCCO1)c1ccccc1
InChIInChI=1S/C14H20O2/c1-2-13(12-8-4-3-5-9-12)16-14-10-6-7-11-15-14/h3-5,8-9,13-14H,2,6-7,10-11H2,1H3
InChIKeyNWOQNTXRQOBOAG-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.68
Rot. Bonds4

About 2-(1-phenylpropoxy)oxane

2-(1-phenylpropoxy)oxane (PubChem CID 11148725) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2-(1-phenylpropoxy)oxane.

Molecular Properties

Compound Name2-(1-phenylpropoxy)oxane
PubChem CID11148725
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name2-(1-phenylpropoxy)oxane
SMILESCCC(OC1CCCCO1)c1ccccc1
InChIInChI=1S/C14H20O2/c1-2-13(12-8-4-3-5-9-12)16-14-10-6-7-11-15-14/h3-5,8-9,13-14H,2,6-7,10-11H2,1H3
InChIKeyNWOQNTXRQOBOAG-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylpropoxy)oxane?
The IUPAC name of 2-(1-phenylpropoxy)oxane (CID 11148725) is 2-(1-phenylpropoxy)oxane.
What is the SMILES notation for 2-(1-phenylpropoxy)oxane?
The canonical SMILES for 2-(1-phenylpropoxy)oxane is CCC(OC1CCCCO1)c1ccccc1.
What is the InChIKey of 2-(1-phenylpropoxy)oxane?
The InChIKey is NWOQNTXRQOBOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-2-13(12-8-4-3-5-9-12)16-14-10-6-7-11-15-14/h3-5,8-9,13-14H,2,6-7,10-11H2,1H3.
What are the key properties of 2-(1-phenylpropoxy)oxane?
2-(1-phenylpropoxy)oxane has a molecular weight of 220.31 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylpropoxy)oxane is sourced from PubChem (CID 11148725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).