oxolan-3-yl 3-phenylprop-2-enoate

C13H14O3 — CID 162506502

IUPACoxolan-3-yl 3-phenylprop-2-enoate
SMILESO=C(C=Cc1ccccc1)OC1CCOC1
InChIInChI=1S/C13H14O3/c14-13(16-12-8-9-15-10-12)7-6-11-4-2-1-3-5-11/h1-7,12H,8-10H2
InChIKeyNWWIVUSAXZMRDO-UHFFFAOYSA-N
MW218.25 g/mol
LogP2.03
Rot. Bonds3

About oxolan-3-yl 3-phenylprop-2-enoate

oxolan-3-yl 3-phenylprop-2-enoate (PubChem CID 162506502) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is oxolan-3-yl 3-phenylprop-2-enoate.

Molecular Properties

Compound Nameoxolan-3-yl 3-phenylprop-2-enoate
PubChem CID162506502
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Nameoxolan-3-yl 3-phenylprop-2-enoate
SMILESO=C(C=Cc1ccccc1)OC1CCOC1
InChIInChI=1S/C13H14O3/c14-13(16-12-8-9-15-10-12)7-6-11-4-2-1-3-5-11/h1-7,12H,8-10H2
InChIKeyNWWIVUSAXZMRDO-UHFFFAOYSA-N
XLogP2.03
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl 3-phenylprop-2-enoate?
The IUPAC name of oxolan-3-yl 3-phenylprop-2-enoate (CID 162506502) is oxolan-3-yl 3-phenylprop-2-enoate.
What is the SMILES notation for oxolan-3-yl 3-phenylprop-2-enoate?
The canonical SMILES for oxolan-3-yl 3-phenylprop-2-enoate is O=C(C=Cc1ccccc1)OC1CCOC1.
What is the InChIKey of oxolan-3-yl 3-phenylprop-2-enoate?
The InChIKey is NWWIVUSAXZMRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O3/c14-13(16-12-8-9-15-10-12)7-6-11-4-2-1-3-5-11/h1-7,12H,8-10H2.
What are the key properties of oxolan-3-yl 3-phenylprop-2-enoate?
oxolan-3-yl 3-phenylprop-2-enoate has a molecular weight of 218.25 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl 3-phenylprop-2-enoate is sourced from PubChem (CID 162506502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).