3-[2-[3-(ethoxymethyl)phenyl]ethoxy]oxolane

C15H22O3 — CID 146544463

IUPAC3-[2-[3-(ethoxymethyl)phenyl]ethoxy]oxolane
SMILESCCOCc1cccc(CCOC2CCOC2)c1
InChIInChI=1S/C15H22O3/c1-2-16-11-14-5-3-4-13(10-14)6-9-18-15-7-8-17-12-15/h3-5,10,15H,2,6-9,11-12H2,1H3
InChIKeyQSURWZOMCCXPMT-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.57
Rot. Bonds7

About 3-[2-[3-(ethoxymethyl)phenyl]ethoxy]oxolane

3-[2-[3-(ethoxymethyl)phenyl]ethoxy]oxolane (PubChem CID 146544463) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-[2-[3-(ethoxymethyl)phenyl]ethoxy]oxolane.

Molecular Properties

Compound Name3-[2-[3-(ethoxymethyl)phenyl]ethoxy]oxolane
PubChem CID146544463
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name3-[2-[3-(ethoxymethyl)phenyl]ethoxy]oxolane
SMILESCCOCc1cccc(CCOC2CCOC2)c1
InChIInChI=1S/C15H22O3/c1-2-16-11-14-5-3-4-13(10-14)6-9-18-15-7-8-17-12-15/h3-5,10,15H,2,6-9,11-12H2,1H3
InChIKeyQSURWZOMCCXPMT-UHFFFAOYSA-N
XLogP2.57
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(ethoxymethyl)phenyl]ethoxy]oxolane?
The IUPAC name of 3-[2-[3-(ethoxymethyl)phenyl]ethoxy]oxolane (CID 146544463) is 3-[2-[3-(ethoxymethyl)phenyl]ethoxy]oxolane.
What is the SMILES notation for 3-[2-[3-(ethoxymethyl)phenyl]ethoxy]oxolane?
The canonical SMILES for 3-[2-[3-(ethoxymethyl)phenyl]ethoxy]oxolane is CCOCc1cccc(CCOC2CCOC2)c1.
What is the InChIKey of 3-[2-[3-(ethoxymethyl)phenyl]ethoxy]oxolane?
The InChIKey is QSURWZOMCCXPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-2-16-11-14-5-3-4-13(10-14)6-9-18-15-7-8-17-12-15/h3-5,10,15H,2,6-9,11-12H2,1H3.
What are the key properties of 3-[2-[3-(ethoxymethyl)phenyl]ethoxy]oxolane?
3-[2-[3-(ethoxymethyl)phenyl]ethoxy]oxolane has a molecular weight of 250.34 g/mol, XLogP of 2.57, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(ethoxymethyl)phenyl]ethoxy]oxolane is sourced from PubChem (CID 146544463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).