[(Z)-[4-(2-oxoethyl)oxolan-3-ylidene]-phenylmethyl] acetate

C15H16O4 — CID 11470956

IUPAC[(Z)-[4-(2-oxoethyl)oxolan-3-ylidene]-phenylmethyl] acetate
SMILESCC(=O)O/C(=C1\COCC1CC=O)c1ccccc1
InChIInChI=1S/C15H16O4/c1-11(17)19-15(12-5-3-2-4-6-12)14-10-18-9-13(14)7-8-16/h2-6,8,13H,7,9-10H2,1H3/b15-14+
InChIKeyLYWGXGXXEVZKOM-CCEZHUSRSA-N
MW260.29 g/mol
LogP2.20
Rot. Bonds4

About [(Z)-[4-(2-oxoethyl)oxolan-3-ylidene]-phenylmethyl] acetate

[(Z)-[4-(2-oxoethyl)oxolan-3-ylidene]-phenylmethyl] acetate (PubChem CID 11470956) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is [(Z)-[4-(2-oxoethyl)oxolan-3-ylidene]-phenylmethyl] acetate.

Molecular Properties

Compound Name[(Z)-[4-(2-oxoethyl)oxolan-3-ylidene]-phenylmethyl] acetate
PubChem CID11470956
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Name[(Z)-[4-(2-oxoethyl)oxolan-3-ylidene]-phenylmethyl] acetate
SMILESCC(=O)O/C(=C1\COCC1CC=O)c1ccccc1
InChIInChI=1S/C15H16O4/c1-11(17)19-15(12-5-3-2-4-6-12)14-10-18-9-13(14)7-8-16/h2-6,8,13H,7,9-10H2,1H3/b15-14+
InChIKeyLYWGXGXXEVZKOM-CCEZHUSRSA-N
XLogP2.20
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[(1Z)-1-(4-phenacyloxolan-3-ylidene)octyl] acetate
CID 11222083
[(Z)-phenyl-(2-phenylcyclohexylidene)methyl] acetate
CID 6211510
2-(4-methylideneoxolan-3-yl)acetaldehyde
CID 13113529
CID 162308474
CID 162308474
[(Z)-2-(oxan-2-yl)-1-phenylethenyl] acetate
CID 24938472
[(Z)-2-(2-hydroxyethylsulfanyl)-1-phenylethenyl] acetate
CID 125477237
oxiran-2-ylmethyl 2-(oxiran-2-ylmethyl)-3,3-diphenylprop-2-enoate
CID 87121058
2-(4-benzoyl-3,6-dihydro-2H-pyran-3-yl)-1-phenylethanone
CID 11208975
[acetyloxy(phenyl)methylidene]manganese
CID 135047264
(3Z)-3-[bromo(phenyl)methylidene]-4-ethenyloxolane
CID 101486116
[(E)-5-oxo-3-phenylhex-2-en-2-yl] acetate
CID 5372893
(4-benzamidooxan-4-yl) acetate
CID 69498261

Frequently Asked Questions

What is the IUPAC name of [(Z)-[4-(2-oxoethyl)oxolan-3-ylidene]-phenylmethyl] acetate?
The IUPAC name of [(Z)-[4-(2-oxoethyl)oxolan-3-ylidene]-phenylmethyl] acetate (CID 11470956) is [(Z)-[4-(2-oxoethyl)oxolan-3-ylidene]-phenylmethyl] acetate.
What is the SMILES notation for [(Z)-[4-(2-oxoethyl)oxolan-3-ylidene]-phenylmethyl] acetate?
The canonical SMILES for [(Z)-[4-(2-oxoethyl)oxolan-3-ylidene]-phenylmethyl] acetate is CC(=O)O/C(=C1\COCC1CC=O)c1ccccc1.
What is the InChIKey of [(Z)-[4-(2-oxoethyl)oxolan-3-ylidene]-phenylmethyl] acetate?
The InChIKey is LYWGXGXXEVZKOM-CCEZHUSRSA-N. The full InChI is InChI=1S/C15H16O4/c1-11(17)19-15(12-5-3-2-4-6-12)14-10-18-9-13(14)7-8-16/h2-6,8,13H,7,9-10H2,1H3/b15-14+.
What are the key properties of [(Z)-[4-(2-oxoethyl)oxolan-3-ylidene]-phenylmethyl] acetate?
[(Z)-[4-(2-oxoethyl)oxolan-3-ylidene]-phenylmethyl] acetate has a molecular weight of 260.29 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[4-(2-oxoethyl)oxolan-3-ylidene]-phenylmethyl] acetate is sourced from PubChem (CID 11470956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).