1,1-diphenylprop-1-en-2-yl methanesulfonate

C16H16O3S — CID 135076312

IUPAC1,1-diphenylprop-1-en-2-yl methanesulfonate
SMILESCC(OS(C)(=O)=O)=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H16O3S/c1-13(19-20(2,17)18)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,1-2H3
InChIKeyLMKIQDOCROFDQR-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.44
Rot. Bonds4

About 1,1-diphenylprop-1-en-2-yl methanesulfonate

1,1-diphenylprop-1-en-2-yl methanesulfonate (PubChem CID 135076312) has the molecular formula C16H16O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is 1,1-diphenylprop-1-en-2-yl methanesulfonate.

Molecular Properties

Compound Name1,1-diphenylprop-1-en-2-yl methanesulfonate
PubChem CID135076312
Molecular FormulaC16H16O3S
Molecular Weight288.37 g/mol
Exact Mass288.08
IUPAC Name1,1-diphenylprop-1-en-2-yl methanesulfonate
SMILESCC(OS(C)(=O)=O)=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H16O3S/c1-13(19-20(2,17)18)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,1-2H3
InChIKeyLMKIQDOCROFDQR-UHFFFAOYSA-N
XLogP3.44
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

dilithium;hydride;1,2,2-triphenylethenylbenzene
CID 173364079
lithium 1-phenylethanone
CID 22269591
1-[4-[(E)-2-(4-acetylphenyl)-1,2-diphenylethenyl]phenyl]ethanone
CID 10669604
CID 173404741
CID 173404741
1,2,2-triphenylethenesulfonic acid
CID 141358047
phosphane;1,2,2-triphenylethenylbenzene
CID 157288563
CID 67882804
CID 67882804
[hydroxy(2-hydroxyethoxy)phosphoryl] 2-methyl-3,3-diphenylprop-2-enoate
CID 174504709
1-(cyclotetradecaheptaenyl)ethanone
CID 90871438
(Z)-2-methoxy-2-methylsulfonyl-1-phenylethenol
CID 134871719
1-phenylethanone;sulfurochloridic acid
CID 23037547
bis(methylsulfonyl) 2,4-dimethyl-3-oxo-2,4-diphenylpentanedioate
CID 175260933

Frequently Asked Questions

What is the IUPAC name of 1,1-diphenylprop-1-en-2-yl methanesulfonate?
The IUPAC name of 1,1-diphenylprop-1-en-2-yl methanesulfonate (CID 135076312) is 1,1-diphenylprop-1-en-2-yl methanesulfonate.
What is the SMILES notation for 1,1-diphenylprop-1-en-2-yl methanesulfonate?
The canonical SMILES for 1,1-diphenylprop-1-en-2-yl methanesulfonate is CC(OS(C)(=O)=O)=C(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,1-diphenylprop-1-en-2-yl methanesulfonate?
The InChIKey is LMKIQDOCROFDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3S/c1-13(19-20(2,17)18)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,1-2H3.
What are the key properties of 1,1-diphenylprop-1-en-2-yl methanesulfonate?
1,1-diphenylprop-1-en-2-yl methanesulfonate has a molecular weight of 288.37 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenylprop-1-en-2-yl methanesulfonate is sourced from PubChem (CID 135076312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).