4-methylidene-2-phenyloxolane

C11H12O — CID 11084168

IUPAC4-methylidene-2-phenyloxolane
SMILESC=C1COC(c2ccccc2)C1
InChIInChI=1S/C11H12O/c1-9-7-11(12-8-9)10-5-3-2-4-6-10/h2-6,11H,1,7-8H2
InChIKeyKTEYLEFSHZFRBF-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.70
Rot. Bonds1

About 4-methylidene-2-phenyloxolane

4-methylidene-2-phenyloxolane (PubChem CID 11084168) has the molecular formula C11H12O and a molecular weight of 160.22 g/mol. Its IUPAC name is 4-methylidene-2-phenyloxolane.

Molecular Properties

Compound Name4-methylidene-2-phenyloxolane
PubChem CID11084168
Molecular FormulaC11H12O
Molecular Weight160.22 g/mol
Exact Mass160.09
IUPAC Name4-methylidene-2-phenyloxolane
SMILESC=C1COC(c2ccccc2)C1
InChIInChI=1S/C11H12O/c1-9-7-11(12-8-9)10-5-3-2-4-6-10/h2-6,11H,1,7-8H2
InChIKeyKTEYLEFSHZFRBF-UHFFFAOYSA-N
XLogP2.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R,7S)-2,7-bis(4-fluorophenyl)-4,9-dimethylidene-1,6-dioxecane
CID 51040541
(2R,6S)-2-(4-chlorophenyl)-4-methylidene-6-phenyloxane
CID 24774784
2-phenyloxirane
CID 7276
ethane;2-phenyloxirane
CID 54171856
(5S)-5-phenyl-1,4-dioxan-2-one
CID 101083967
4,6-diphenyl-5,6-dihydro-2H-1,3-oxazine
CID 177458650
(5S)-3-bromo-5-phenyl-4,5-dihydro-1,2-oxazole;(5R)-3-bromo-5-phenyl-4,5-dihydro-1,2-oxazole
CID 159139120
5-phenyl-4,5-dihydrooxadiazole
CID 154572908
2,6-diphenyloxan-4-one
CID 500287
5-phenyl-3-pyrrol-1-yl-4,5-dihydro-1,2-oxazole
CID 158354992
2-methylidene-6-phenyloxane
CID 102035384
azane;2-phenylmorpholine
CID 174664757

Frequently Asked Questions

What is the IUPAC name of 4-methylidene-2-phenyloxolane?
The IUPAC name of 4-methylidene-2-phenyloxolane (CID 11084168) is 4-methylidene-2-phenyloxolane.
What is the SMILES notation for 4-methylidene-2-phenyloxolane?
The canonical SMILES for 4-methylidene-2-phenyloxolane is C=C1COC(c2ccccc2)C1.
What is the InChIKey of 4-methylidene-2-phenyloxolane?
The InChIKey is KTEYLEFSHZFRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O/c1-9-7-11(12-8-9)10-5-3-2-4-6-10/h2-6,11H,1,7-8H2.
What are the key properties of 4-methylidene-2-phenyloxolane?
4-methylidene-2-phenyloxolane has a molecular weight of 160.22 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-2-phenyloxolane is sourced from PubChem (CID 11084168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).