2-phenyl-2-prop-2-enylindene-1,3-dione

C18H14O2 — CID 5121496

IUPAC2-phenyl-2-prop-2-enylindene-1,3-dione
SMILESC=CCC1(c2ccccc2)C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H14O2/c1-2-12-18(13-8-4-3-5-9-13)16(19)14-10-6-7-11-15(14)17(18)20/h2-11H,1,12H2
InChIKeyMVCQSHRLIBAQHU-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.58
Rot. Bonds3

About 2-phenyl-2-prop-2-enylindene-1,3-dione

2-phenyl-2-prop-2-enylindene-1,3-dione (PubChem CID 5121496) has the molecular formula C18H14O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-phenyl-2-prop-2-enylindene-1,3-dione.

Molecular Properties

Compound Name2-phenyl-2-prop-2-enylindene-1,3-dione
PubChem CID5121496
Molecular FormulaC18H14O2
Molecular Weight262.31 g/mol
Exact Mass262.10
IUPAC Name2-phenyl-2-prop-2-enylindene-1,3-dione
SMILESC=CCC1(c2ccccc2)C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H14O2/c1-2-12-18(13-8-4-3-5-9-13)16(19)14-10-6-7-11-15(14)17(18)20/h2-11H,1,12H2
InChIKeyMVCQSHRLIBAQHU-UHFFFAOYSA-N
XLogP3.58
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-prop-2-enylindene-1,3-dione?
The IUPAC name of 2-phenyl-2-prop-2-enylindene-1,3-dione (CID 5121496) is 2-phenyl-2-prop-2-enylindene-1,3-dione.
What is the SMILES notation for 2-phenyl-2-prop-2-enylindene-1,3-dione?
The canonical SMILES for 2-phenyl-2-prop-2-enylindene-1,3-dione is C=CCC1(c2ccccc2)C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-phenyl-2-prop-2-enylindene-1,3-dione?
The InChIKey is MVCQSHRLIBAQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O2/c1-2-12-18(13-8-4-3-5-9-13)16(19)14-10-6-7-11-15(14)17(18)20/h2-11H,1,12H2.
What are the key properties of 2-phenyl-2-prop-2-enylindene-1,3-dione?
2-phenyl-2-prop-2-enylindene-1,3-dione has a molecular weight of 262.31 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-prop-2-enylindene-1,3-dione is sourced from PubChem (CID 5121496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).