1-(9H-fluoren-2-yl)-3-phenylpropane-1,3-dione

C22H16O2 — CID 132527641

IUPAC1-(9H-fluoren-2-yl)-3-phenylpropane-1,3-dione
SMILESO=C(CC(=O)c1ccc2c(c1)Cc1ccccc1-2)c1ccccc1
InChIInChI=1S/C22H16O2/c23-21(15-6-2-1-3-7-15)14-22(24)17-10-11-20-18(13-17)12-16-8-4-5-9-19(16)20/h1-11,13H,12,14H2
InChIKeyKKWAWQZRQFTZIF-UHFFFAOYSA-N
MW312.37 g/mol
LogP4.71
Rot. Bonds4

About 1-(9H-fluoren-2-yl)-3-phenylpropane-1,3-dione

1-(9H-fluoren-2-yl)-3-phenylpropane-1,3-dione (PubChem CID 132527641) has the molecular formula C22H16O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-(9H-fluoren-2-yl)-3-phenylpropane-1,3-dione.

Molecular Properties

Compound Name1-(9H-fluoren-2-yl)-3-phenylpropane-1,3-dione
PubChem CID132527641
Molecular FormulaC22H16O2
Molecular Weight312.37 g/mol
Exact Mass312.12
IUPAC Name1-(9H-fluoren-2-yl)-3-phenylpropane-1,3-dione
SMILESO=C(CC(=O)c1ccc2c(c1)Cc1ccccc1-2)c1ccccc1
InChIInChI=1S/C22H16O2/c23-21(15-6-2-1-3-7-15)14-22(24)17-10-11-20-18(13-17)12-16-8-4-5-9-19(16)20/h1-11,13H,12,14H2
InChIKeyKKWAWQZRQFTZIF-UHFFFAOYSA-N
XLogP4.71
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 54.71
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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Related Compounds

[3-(9H-fluorene-2-carbonyl)phenyl]-(9H-fluoren-2-yl)methanone
CID 10552019
9H-fluoren-2-yl-(4-phenylphenyl)methanone
CID 91678788
9H-fluorene-2-carboxamide;hydrochloride
CID 21224790
N-cyclopentyl-9H-fluorene-2-carboxamide
CID 39896867
9H-fluoren-2-yl(9,9'-spirobi[fluorene]-2-yl)methanone
CID 146631569
N-(3-hydroxypropyl)-9H-fluorene-2-carboxamide
CID 78869667
1-(9H-fluoren-2-yl)prop-1-en-1-ol
CID 141066359
CID 91092695
CID 91092695
N-[5-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
CID 1326310
1-(9H-fluoren-2-yl)-2-(2-methylpyridin-1-ium-1-yl)ethanone;hydrobromide
CID 126960798
1H-azepine;9H-fluorene-2-carboxylic acid
CID 174434519
9H-fluorene-1-carboxylic acid;9H-fluorene-2,7-dicarboxylic acid
CID 158991215

Frequently Asked Questions

What is the IUPAC name of 1-(9H-fluoren-2-yl)-3-phenylpropane-1,3-dione?
The IUPAC name of 1-(9H-fluoren-2-yl)-3-phenylpropane-1,3-dione (CID 132527641) is 1-(9H-fluoren-2-yl)-3-phenylpropane-1,3-dione.
What is the SMILES notation for 1-(9H-fluoren-2-yl)-3-phenylpropane-1,3-dione?
The canonical SMILES for 1-(9H-fluoren-2-yl)-3-phenylpropane-1,3-dione is O=C(CC(=O)c1ccc2c(c1)Cc1ccccc1-2)c1ccccc1.
What is the InChIKey of 1-(9H-fluoren-2-yl)-3-phenylpropane-1,3-dione?
The InChIKey is KKWAWQZRQFTZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16O2/c23-21(15-6-2-1-3-7-15)14-22(24)17-10-11-20-18(13-17)12-16-8-4-5-9-19(16)20/h1-11,13H,12,14H2.
What are the key properties of 1-(9H-fluoren-2-yl)-3-phenylpropane-1,3-dione?
1-(9H-fluoren-2-yl)-3-phenylpropane-1,3-dione has a molecular weight of 312.37 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-fluoren-2-yl)-3-phenylpropane-1,3-dione is sourced from PubChem (CID 132527641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).