2-(3-phenylpropoxy)oxane

C14H20O2 — CID 10889441

IUPAC2-(3-phenylpropoxy)oxane
SMILESc1ccc(CCCOC2CCCCO2)cc1
InChIInChI=1S/C14H20O2/c1-2-7-13(8-3-1)9-6-12-16-14-10-4-5-11-15-14/h1-3,7-8,14H,4-6,9-12H2
InChIKeyPRABCNYCDWEOHH-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.16
Rot. Bonds5

About 2-(3-phenylpropoxy)oxane

2-(3-phenylpropoxy)oxane (PubChem CID 10889441) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2-(3-phenylpropoxy)oxane.

Molecular Properties

Compound Name2-(3-phenylpropoxy)oxane
PubChem CID10889441
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name2-(3-phenylpropoxy)oxane
SMILESc1ccc(CCCOC2CCCCO2)cc1
InChIInChI=1S/C14H20O2/c1-2-7-13(8-3-1)9-6-12-16-14-10-4-5-11-15-14/h1-3,7-8,14H,4-6,9-12H2
InChIKeyPRABCNYCDWEOHH-UHFFFAOYSA-N
XLogP3.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylpropoxy)oxane?
The IUPAC name of 2-(3-phenylpropoxy)oxane (CID 10889441) is 2-(3-phenylpropoxy)oxane.
What is the SMILES notation for 2-(3-phenylpropoxy)oxane?
The canonical SMILES for 2-(3-phenylpropoxy)oxane is c1ccc(CCCOC2CCCCO2)cc1.
What is the InChIKey of 2-(3-phenylpropoxy)oxane?
The InChIKey is PRABCNYCDWEOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-2-7-13(8-3-1)9-6-12-16-14-10-4-5-11-15-14/h1-3,7-8,14H,4-6,9-12H2.
What are the key properties of 2-(3-phenylpropoxy)oxane?
2-(3-phenylpropoxy)oxane has a molecular weight of 220.31 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylpropoxy)oxane is sourced from PubChem (CID 10889441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).