3-methylidene-5-phenyl-4-(2-phenylethyl)oxolan-2-one

C19H18O2 — CID 118708711

IUPAC3-methylidene-5-phenyl-4-(2-phenylethyl)oxolan-2-one
SMILESC=C1C(=O)OC(c2ccccc2)C1CCc1ccccc1
InChIInChI=1S/C19H18O2/c1-14-17(13-12-15-8-4-2-5-9-15)18(21-19(14)20)16-10-6-3-7-11-16/h2-11,17-18H,1,12-13H2
InChIKeyZNJXNFBDCNMLLO-UHFFFAOYSA-N
MW278.35 g/mol
LogP4.09
Rot. Bonds4

About 3-methylidene-5-phenyl-4-(2-phenylethyl)oxolan-2-one

3-methylidene-5-phenyl-4-(2-phenylethyl)oxolan-2-one (PubChem CID 118708711) has the molecular formula C19H18O2 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-methylidene-5-phenyl-4-(2-phenylethyl)oxolan-2-one.

Molecular Properties

Compound Name3-methylidene-5-phenyl-4-(2-phenylethyl)oxolan-2-one
PubChem CID118708711
Molecular FormulaC19H18O2
Molecular Weight278.35 g/mol
Exact Mass278.13
IUPAC Name3-methylidene-5-phenyl-4-(2-phenylethyl)oxolan-2-one
SMILESC=C1C(=O)OC(c2ccccc2)C1CCc1ccccc1
InChIInChI=1S/C19H18O2/c1-14-17(13-12-15-8-4-2-5-9-15)18(21-19(14)20)16-10-6-3-7-11-16/h2-11,17-18H,1,12-13H2
InChIKeyZNJXNFBDCNMLLO-UHFFFAOYSA-N
XLogP4.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-phenyl-4-(2-phenylethyl)oxolan-2-one?
The IUPAC name of 3-methylidene-5-phenyl-4-(2-phenylethyl)oxolan-2-one (CID 118708711) is 3-methylidene-5-phenyl-4-(2-phenylethyl)oxolan-2-one.
What is the SMILES notation for 3-methylidene-5-phenyl-4-(2-phenylethyl)oxolan-2-one?
The canonical SMILES for 3-methylidene-5-phenyl-4-(2-phenylethyl)oxolan-2-one is C=C1C(=O)OC(c2ccccc2)C1CCc1ccccc1.
What is the InChIKey of 3-methylidene-5-phenyl-4-(2-phenylethyl)oxolan-2-one?
The InChIKey is ZNJXNFBDCNMLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O2/c1-14-17(13-12-15-8-4-2-5-9-15)18(21-19(14)20)16-10-6-3-7-11-16/h2-11,17-18H,1,12-13H2.
What are the key properties of 3-methylidene-5-phenyl-4-(2-phenylethyl)oxolan-2-one?
3-methylidene-5-phenyl-4-(2-phenylethyl)oxolan-2-one has a molecular weight of 278.35 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-5-phenyl-4-(2-phenylethyl)oxolan-2-one is sourced from PubChem (CID 118708711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).