2-(2,3,4,5-tetramethylphenyl)indene-1,3-dione

C19H18O2 — CID 793887

IUPAC2-(2,3,4,5-tetramethylphenyl)indene-1,3-dione
SMILESCc1cc(C2C(=O)c3ccccc3C2=O)c(C)c(C)c1C
InChIInChI=1S/C19H18O2/c1-10-9-16(13(4)12(3)11(10)2)17-18(20)14-7-5-6-8-15(14)19(17)21/h5-9,17H,1-4H3
InChIKeyDODGDMYLLXYUBT-UHFFFAOYSA-N
MW278.35 g/mol
LogP4.08
Rot. Bonds1

About 2-(2,3,4,5-tetramethylphenyl)indene-1,3-dione

2-(2,3,4,5-tetramethylphenyl)indene-1,3-dione (PubChem CID 793887) has the molecular formula C19H18O2 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-(2,3,4,5-tetramethylphenyl)indene-1,3-dione.

Molecular Properties

Compound Name2-(2,3,4,5-tetramethylphenyl)indene-1,3-dione
PubChem CID793887
Molecular FormulaC19H18O2
Molecular Weight278.35 g/mol
Exact Mass278.13
IUPAC Name2-(2,3,4,5-tetramethylphenyl)indene-1,3-dione
SMILESCc1cc(C2C(=O)c3ccccc3C2=O)c(C)c(C)c1C
InChIInChI=1S/C19H18O2/c1-10-9-16(13(4)12(3)11(10)2)17-18(20)14-7-5-6-8-15(14)19(17)21/h5-9,17H,1-4H3
InChIKeyDODGDMYLLXYUBT-UHFFFAOYSA-N
XLogP4.08
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 54.08
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,5-tetramethylphenyl)indene-1,3-dione?
The IUPAC name of 2-(2,3,4,5-tetramethylphenyl)indene-1,3-dione (CID 793887) is 2-(2,3,4,5-tetramethylphenyl)indene-1,3-dione.
What is the SMILES notation for 2-(2,3,4,5-tetramethylphenyl)indene-1,3-dione?
The canonical SMILES for 2-(2,3,4,5-tetramethylphenyl)indene-1,3-dione is Cc1cc(C2C(=O)c3ccccc3C2=O)c(C)c(C)c1C.
What is the InChIKey of 2-(2,3,4,5-tetramethylphenyl)indene-1,3-dione?
The InChIKey is DODGDMYLLXYUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O2/c1-10-9-16(13(4)12(3)11(10)2)17-18(20)14-7-5-6-8-15(14)19(17)21/h5-9,17H,1-4H3.
What are the key properties of 2-(2,3,4,5-tetramethylphenyl)indene-1,3-dione?
2-(2,3,4,5-tetramethylphenyl)indene-1,3-dione has a molecular weight of 278.35 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,5-tetramethylphenyl)indene-1,3-dione is sourced from PubChem (CID 793887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).