2-(4-propan-2-yloxyphenyl)indene-1,3-dione

C18H16O3 — CID 159652918

IUPAC2-(4-propan-2-yloxyphenyl)indene-1,3-dione
SMILESCC(C)Oc1ccc(C2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C18H16O3/c1-11(2)21-13-9-7-12(8-10-13)16-17(19)14-5-3-4-6-15(14)18(16)20/h3-11,16H,1-2H3
InChIKeyMRUNLVPGTHGVBY-UHFFFAOYSA-N
MW280.32 g/mol
LogP3.64
Rot. Bonds3

About 2-(4-propan-2-yloxyphenyl)indene-1,3-dione

2-(4-propan-2-yloxyphenyl)indene-1,3-dione (PubChem CID 159652918) has the molecular formula C18H16O3 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-(4-propan-2-yloxyphenyl)indene-1,3-dione.

Molecular Properties

Compound Name2-(4-propan-2-yloxyphenyl)indene-1,3-dione
PubChem CID159652918
Molecular FormulaC18H16O3
Molecular Weight280.32 g/mol
Exact Mass280.11
IUPAC Name2-(4-propan-2-yloxyphenyl)indene-1,3-dione
SMILESCC(C)Oc1ccc(C2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C18H16O3/c1-11(2)21-13-9-7-12(8-10-13)16-17(19)14-5-3-4-6-15(14)18(16)20/h3-11,16H,1-2H3
InChIKeyMRUNLVPGTHGVBY-UHFFFAOYSA-N
XLogP3.64
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(4-propan-2-yloxyphenyl)indene-1,3-dione?
The IUPAC name of 2-(4-propan-2-yloxyphenyl)indene-1,3-dione (CID 159652918) is 2-(4-propan-2-yloxyphenyl)indene-1,3-dione.
What is the SMILES notation for 2-(4-propan-2-yloxyphenyl)indene-1,3-dione?
The canonical SMILES for 2-(4-propan-2-yloxyphenyl)indene-1,3-dione is CC(C)Oc1ccc(C2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 2-(4-propan-2-yloxyphenyl)indene-1,3-dione?
The InChIKey is MRUNLVPGTHGVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O3/c1-11(2)21-13-9-7-12(8-10-13)16-17(19)14-5-3-4-6-15(14)18(16)20/h3-11,16H,1-2H3.
What are the key properties of 2-(4-propan-2-yloxyphenyl)indene-1,3-dione?
2-(4-propan-2-yloxyphenyl)indene-1,3-dione has a molecular weight of 280.32 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-yloxyphenyl)indene-1,3-dione is sourced from PubChem (CID 159652918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).