1-(9,10-dihydroanthracen-9-yl)butane-1,3-dione

C18H16O2 — CID 3687478

IUPAC1-(9,10-dihydroanthracen-9-yl)butane-1,3-dione
SMILESCC(=O)CC(=O)C1c2ccccc2Cc2ccccc21
InChIInChI=1S/C18H16O2/c1-12(19)10-17(20)18-15-8-4-2-6-13(15)11-14-7-3-5-9-16(14)18/h2-9,18H,10-11H2,1H3
InChIKeySKUWAODBVIAQOE-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.27
Rot. Bonds3

About 1-(9,10-dihydroanthracen-9-yl)butane-1,3-dione

1-(9,10-dihydroanthracen-9-yl)butane-1,3-dione (PubChem CID 3687478) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-(9,10-dihydroanthracen-9-yl)butane-1,3-dione.

Molecular Properties

Compound Name1-(9,10-dihydroanthracen-9-yl)butane-1,3-dione
PubChem CID3687478
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Name1-(9,10-dihydroanthracen-9-yl)butane-1,3-dione
SMILESCC(=O)CC(=O)C1c2ccccc2Cc2ccccc21
InChIInChI=1S/C18H16O2/c1-12(19)10-17(20)18-15-8-4-2-6-13(15)11-14-7-3-5-9-16(14)18/h2-9,18H,10-11H2,1H3
InChIKeySKUWAODBVIAQOE-UHFFFAOYSA-N
XLogP3.27
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(9,10-dihydroanthracen-9-yl)butane-1,3-dione?
The IUPAC name of 1-(9,10-dihydroanthracen-9-yl)butane-1,3-dione (CID 3687478) is 1-(9,10-dihydroanthracen-9-yl)butane-1,3-dione.
What is the SMILES notation for 1-(9,10-dihydroanthracen-9-yl)butane-1,3-dione?
The canonical SMILES for 1-(9,10-dihydroanthracen-9-yl)butane-1,3-dione is CC(=O)CC(=O)C1c2ccccc2Cc2ccccc21.
What is the InChIKey of 1-(9,10-dihydroanthracen-9-yl)butane-1,3-dione?
The InChIKey is SKUWAODBVIAQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O2/c1-12(19)10-17(20)18-15-8-4-2-6-13(15)11-14-7-3-5-9-16(14)18/h2-9,18H,10-11H2,1H3.
What are the key properties of 1-(9,10-dihydroanthracen-9-yl)butane-1,3-dione?
1-(9,10-dihydroanthracen-9-yl)butane-1,3-dione has a molecular weight of 264.32 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9,10-dihydroanthracen-9-yl)butane-1,3-dione is sourced from PubChem (CID 3687478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).