oxan-2-yl 3-phenylpropanoate

C14H18O3 — CID 10609743

IUPACoxan-2-yl 3-phenylpropanoate
SMILESO=C(CCc1ccccc1)OC1CCCCO1
InChIInChI=1S/C14H18O3/c15-13(17-14-8-4-5-11-16-14)10-9-12-6-2-1-3-7-12/h1-3,6-7,14H,4-5,8-11H2
InChIKeyOTGISLITONWVBB-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.69
Rot. Bonds4

About oxan-2-yl 3-phenylpropanoate

oxan-2-yl 3-phenylpropanoate (PubChem CID 10609743) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is oxan-2-yl 3-phenylpropanoate.

Molecular Properties

Compound Nameoxan-2-yl 3-phenylpropanoate
PubChem CID10609743
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Nameoxan-2-yl 3-phenylpropanoate
SMILESO=C(CCc1ccccc1)OC1CCCCO1
InChIInChI=1S/C14H18O3/c15-13(17-14-8-4-5-11-16-14)10-9-12-6-2-1-3-7-12/h1-3,6-7,14H,4-5,8-11H2
InChIKeyOTGISLITONWVBB-UHFFFAOYSA-N
XLogP2.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of oxan-2-yl 3-phenylpropanoate?
The IUPAC name of oxan-2-yl 3-phenylpropanoate (CID 10609743) is oxan-2-yl 3-phenylpropanoate.
What is the SMILES notation for oxan-2-yl 3-phenylpropanoate?
The canonical SMILES for oxan-2-yl 3-phenylpropanoate is O=C(CCc1ccccc1)OC1CCCCO1.
What is the InChIKey of oxan-2-yl 3-phenylpropanoate?
The InChIKey is OTGISLITONWVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c15-13(17-14-8-4-5-11-16-14)10-9-12-6-2-1-3-7-12/h1-3,6-7,14H,4-5,8-11H2.
What are the key properties of oxan-2-yl 3-phenylpropanoate?
oxan-2-yl 3-phenylpropanoate has a molecular weight of 234.29 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-2-yl 3-phenylpropanoate is sourced from PubChem (CID 10609743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).