3-methylidene-5-(3-phenoxyphenyl)oxolan-2-one

C17H14O3 — CID 10754217

IUPAC3-methylidene-5-(3-phenoxyphenyl)oxolan-2-one
SMILESC=C1CC(c2cccc(Oc3ccccc3)c2)OC1=O
InChIInChI=1S/C17H14O3/c1-12-10-16(20-17(12)18)13-6-5-9-15(11-13)19-14-7-3-2-4-8-14/h2-9,11,16H,1,10H2
InChIKeyMCIJDJPSOPGLIY-UHFFFAOYSA-N
MW266.30 g/mol
LogP4.02
Rot. Bonds3

About 3-methylidene-5-(3-phenoxyphenyl)oxolan-2-one

3-methylidene-5-(3-phenoxyphenyl)oxolan-2-one (PubChem CID 10754217) has the molecular formula C17H14O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-methylidene-5-(3-phenoxyphenyl)oxolan-2-one.

Molecular Properties

Compound Name3-methylidene-5-(3-phenoxyphenyl)oxolan-2-one
PubChem CID10754217
Molecular FormulaC17H14O3
Molecular Weight266.30 g/mol
Exact Mass266.09
IUPAC Name3-methylidene-5-(3-phenoxyphenyl)oxolan-2-one
SMILESC=C1CC(c2cccc(Oc3ccccc3)c2)OC1=O
InChIInChI=1S/C17H14O3/c1-12-10-16(20-17(12)18)13-6-5-9-15(11-13)19-14-7-3-2-4-8-14/h2-9,11,16H,1,10H2
InChIKeyMCIJDJPSOPGLIY-UHFFFAOYSA-N
XLogP4.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 54.02
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 3-methylidene-5-(3-phenoxyphenyl)oxolan-2-one?
The IUPAC name of 3-methylidene-5-(3-phenoxyphenyl)oxolan-2-one (CID 10754217) is 3-methylidene-5-(3-phenoxyphenyl)oxolan-2-one.
What is the SMILES notation for 3-methylidene-5-(3-phenoxyphenyl)oxolan-2-one?
The canonical SMILES for 3-methylidene-5-(3-phenoxyphenyl)oxolan-2-one is C=C1CC(c2cccc(Oc3ccccc3)c2)OC1=O.
What is the InChIKey of 3-methylidene-5-(3-phenoxyphenyl)oxolan-2-one?
The InChIKey is MCIJDJPSOPGLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O3/c1-12-10-16(20-17(12)18)13-6-5-9-15(11-13)19-14-7-3-2-4-8-14/h2-9,11,16H,1,10H2.
What are the key properties of 3-methylidene-5-(3-phenoxyphenyl)oxolan-2-one?
3-methylidene-5-(3-phenoxyphenyl)oxolan-2-one has a molecular weight of 266.30 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-5-(3-phenoxyphenyl)oxolan-2-one is sourced from PubChem (CID 10754217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).