5-benzyl-2-ethenylbenzoyl chloride;ethane

C18H19ClO — CID 91515682

IUPAC5-benzyl-2-ethenylbenzoyl chloride;ethane
SMILESC=Cc1ccc(Cc2ccccc2)cc1C(=O)Cl.CC
InChIInChI=1S/C16H13ClO.C2H6/c1-2-14-9-8-13(11-15(14)16(17)18)10-12-6-4-3-5-7-12;1-2/h2-9,11H,1,10H2;1-2H3
InChIKeyFENNLRSJAFCFAU-UHFFFAOYSA-N
MW286.80 g/mol
LogP5.33
Rot. Bonds4

About 5-benzyl-2-ethenylbenzoyl chloride;ethane

5-benzyl-2-ethenylbenzoyl chloride;ethane (PubChem CID 91515682) has the molecular formula C18H19ClO and a molecular weight of 286.80 g/mol. Its IUPAC name is 5-benzyl-2-ethenylbenzoyl chloride;ethane.

Molecular Properties

Compound Name5-benzyl-2-ethenylbenzoyl chloride;ethane
PubChem CID91515682
Molecular FormulaC18H19ClO
Molecular Weight286.80 g/mol
Exact Mass286.11
IUPAC Name5-benzyl-2-ethenylbenzoyl chloride;ethane
SMILESC=Cc1ccc(Cc2ccccc2)cc1C(=O)Cl.CC
InChIInChI=1S/C16H13ClO.C2H6/c1-2-14-9-8-13(11-15(14)16(17)18)10-12-6-4-3-5-7-12;1-2/h2-9,11H,1,10H2;1-2H3
InChIKeyFENNLRSJAFCFAU-UHFFFAOYSA-N
XLogP5.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.80
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-ethenylbenzoyl chloride;ethane?
The IUPAC name of 5-benzyl-2-ethenylbenzoyl chloride;ethane (CID 91515682) is 5-benzyl-2-ethenylbenzoyl chloride;ethane.
What is the SMILES notation for 5-benzyl-2-ethenylbenzoyl chloride;ethane?
The canonical SMILES for 5-benzyl-2-ethenylbenzoyl chloride;ethane is C=Cc1ccc(Cc2ccccc2)cc1C(=O)Cl.CC.
What is the InChIKey of 5-benzyl-2-ethenylbenzoyl chloride;ethane?
The InChIKey is FENNLRSJAFCFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClO.C2H6/c1-2-14-9-8-13(11-15(14)16(17)18)10-12-6-4-3-5-7-12;1-2/h2-9,11H,1,10H2;1-2H3.
What are the key properties of 5-benzyl-2-ethenylbenzoyl chloride;ethane?
5-benzyl-2-ethenylbenzoyl chloride;ethane has a molecular weight of 286.80 g/mol, XLogP of 5.33, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-ethenylbenzoyl chloride;ethane is sourced from PubChem (CID 91515682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).