1-(5-phenyl-2,5-dihydrofuran-3-yl)ethenyl methanesulfonate

C13H14O4S — CID 24807539

IUPAC1-(5-phenyl-2,5-dihydrofuran-3-yl)ethenyl methanesulfonate
SMILESC=C(OS(C)(=O)=O)C1=CC(c2ccccc2)OC1
InChIInChI=1S/C13H14O4S/c1-10(17-18(2,14)15)12-8-13(16-9-12)11-6-4-3-5-7-11/h3-8,13H,1,9H2,2H3
InChIKeyNMGNONMZJOWHJI-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.17
Rot. Bonds4

About 1-(5-phenyl-2,5-dihydrofuran-3-yl)ethenyl methanesulfonate

1-(5-phenyl-2,5-dihydrofuran-3-yl)ethenyl methanesulfonate (PubChem CID 24807539) has the molecular formula C13H14O4S and a molecular weight of 266.32 g/mol. Its IUPAC name is 1-(5-phenyl-2,5-dihydrofuran-3-yl)ethenyl methanesulfonate.

Molecular Properties

Compound Name1-(5-phenyl-2,5-dihydrofuran-3-yl)ethenyl methanesulfonate
PubChem CID24807539
Molecular FormulaC13H14O4S
Molecular Weight266.32 g/mol
Exact Mass266.06
IUPAC Name1-(5-phenyl-2,5-dihydrofuran-3-yl)ethenyl methanesulfonate
SMILESC=C(OS(C)(=O)=O)C1=CC(c2ccccc2)OC1
InChIInChI=1S/C13H14O4S/c1-10(17-18(2,14)15)12-8-13(16-9-12)11-6-4-3-5-7-11/h3-8,13H,1,9H2,2H3
InChIKeyNMGNONMZJOWHJI-UHFFFAOYSA-N
XLogP2.17
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

4-(ethoxymethyl)-2-phenyl-2,5-dihydrofuran
CID 10954673
[3-methylsulfonyloxy-2-(2-phenyl-1,3-dioxan-5-yl)propyl] methanesulfonate
CID 59283270
7-methyl-2,5-diphenyl-3,5-dihydro-2H-1,4-dioxepine
CID 51031693
methanesulfonoperoxoic acid;styrene
CID 87237870
1,1-diphenylprop-1-en-2-yl methanesulfonate
CID 135076312
[(3S,6R)-6-phenyl-3,6-dihydro-2H-pyran-3-yl] acetate
CID 102226049
CID 173025831
CID 173025831
[(1R,2S)-2-phenylcyclopentyl] methanesulfonate
CID 121416459
(2R,3R)-N-(4-methylsulfonylphenyl)sulfonyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 110166834
[(E)-2-methylsulfonyloxyethenyl]-phenyliodanium
CID 5325297
sodium;hydride;methanesulfonic acid;naphthalene
CID 174430944
(2-methylsulfonylcyclopropyl)benzene
CID 89149052

Frequently Asked Questions

What is the IUPAC name of 1-(5-phenyl-2,5-dihydrofuran-3-yl)ethenyl methanesulfonate?
The IUPAC name of 1-(5-phenyl-2,5-dihydrofuran-3-yl)ethenyl methanesulfonate (CID 24807539) is 1-(5-phenyl-2,5-dihydrofuran-3-yl)ethenyl methanesulfonate.
What is the SMILES notation for 1-(5-phenyl-2,5-dihydrofuran-3-yl)ethenyl methanesulfonate?
The canonical SMILES for 1-(5-phenyl-2,5-dihydrofuran-3-yl)ethenyl methanesulfonate is C=C(OS(C)(=O)=O)C1=CC(c2ccccc2)OC1.
What is the InChIKey of 1-(5-phenyl-2,5-dihydrofuran-3-yl)ethenyl methanesulfonate?
The InChIKey is NMGNONMZJOWHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O4S/c1-10(17-18(2,14)15)12-8-13(16-9-12)11-6-4-3-5-7-11/h3-8,13H,1,9H2,2H3.
What are the key properties of 1-(5-phenyl-2,5-dihydrofuran-3-yl)ethenyl methanesulfonate?
1-(5-phenyl-2,5-dihydrofuran-3-yl)ethenyl methanesulfonate has a molecular weight of 266.32 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-phenyl-2,5-dihydrofuran-3-yl)ethenyl methanesulfonate is sourced from PubChem (CID 24807539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).