(3Z)-3-[bromo(phenyl)methylidene]-4-ethenyloxolane

C13H13BrO — CID 101486116

IUPAC(3Z)-3-[bromo(phenyl)methylidene]-4-ethenyloxolane
SMILESC=CC1COC/C1=C(\Br)c1ccccc1
InChIInChI=1S/C13H13BrO/c1-2-10-8-15-9-12(10)13(14)11-6-4-3-5-7-11/h2-7,10H,1,8-9H2/b13-12+
InChIKeyPANUFXUZMKSSOA-OUKQBFOZSA-N
MW265.15 g/mol
LogP3.62
Rot. Bonds2

About (3Z)-3-[bromo(phenyl)methylidene]-4-ethenyloxolane

(3Z)-3-[bromo(phenyl)methylidene]-4-ethenyloxolane (PubChem CID 101486116) has the molecular formula C13H13BrO and a molecular weight of 265.15 g/mol. Its IUPAC name is (3Z)-3-[bromo(phenyl)methylidene]-4-ethenyloxolane.

Molecular Properties

Compound Name(3Z)-3-[bromo(phenyl)methylidene]-4-ethenyloxolane
PubChem CID101486116
Molecular FormulaC13H13BrO
Molecular Weight265.15 g/mol
Exact Mass264.01
IUPAC Name(3Z)-3-[bromo(phenyl)methylidene]-4-ethenyloxolane
SMILESC=CC1COC/C1=C(\Br)c1ccccc1
InChIInChI=1S/C13H13BrO/c1-2-10-8-15-9-12(10)13(14)11-6-4-3-5-7-11/h2-7,10H,1,8-9H2/b13-12+
InChIKeyPANUFXUZMKSSOA-OUKQBFOZSA-N
XLogP3.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.15
LogP ≤ 53.62
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

(3E)-3-[1-bromo-3-(4-bromophenyl)propylidene]-4-ethenyloxolane
CID 134968290
(E,1S)-1-phenyl-4-[(3S)-4-propan-2-ylideneoxolan-3-yl]but-3-en-1-ol
CID 101371052
(1R)-3-ethenyl-2,3-dihydro-1H-inden-1-ol
CID 58714111
[(Z)-[4-(2-oxoethyl)oxolan-3-ylidene]-phenylmethyl] acetate
CID 11470956
N-[(3S,5R)-5-prop-2-enyloxolan-3-yl]benzamide
CID 14954535
[(1R,2R)-2-ethenylcyclopropyl]-phenylmethanone
CID 14120313
3-chloro-4-(2,2-diphenylethenyl)-3,6-dihydro-2H-pyran
CID 135013023
diphenyl(prop-2-enyl)alumane
CID 16702068
[(1Z)-2-bromo-1-chloropenta-1,4-dienyl]benzene
CID 125477290
(2S,3E,4R)-4-ethenyl-2-phenyl-3-(1-phenylpentylidene)oxolane
CID 11267136
(3S,4S,5R)-5-phenyl-4-prop-2-enyloxolan-3-ol
CID 12996147
N-[(1Z)-1-phenylbuta-1,3-dienyl]methanimine
CID 142314562

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[bromo(phenyl)methylidene]-4-ethenyloxolane?
The IUPAC name of (3Z)-3-[bromo(phenyl)methylidene]-4-ethenyloxolane (CID 101486116) is (3Z)-3-[bromo(phenyl)methylidene]-4-ethenyloxolane.
What is the SMILES notation for (3Z)-3-[bromo(phenyl)methylidene]-4-ethenyloxolane?
The canonical SMILES for (3Z)-3-[bromo(phenyl)methylidene]-4-ethenyloxolane is C=CC1COC/C1=C(\Br)c1ccccc1.
What is the InChIKey of (3Z)-3-[bromo(phenyl)methylidene]-4-ethenyloxolane?
The InChIKey is PANUFXUZMKSSOA-OUKQBFOZSA-N. The full InChI is InChI=1S/C13H13BrO/c1-2-10-8-15-9-12(10)13(14)11-6-4-3-5-7-11/h2-7,10H,1,8-9H2/b13-12+.
What are the key properties of (3Z)-3-[bromo(phenyl)methylidene]-4-ethenyloxolane?
(3Z)-3-[bromo(phenyl)methylidene]-4-ethenyloxolane has a molecular weight of 265.15 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[bromo(phenyl)methylidene]-4-ethenyloxolane is sourced from PubChem (CID 101486116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).