2-benzoyl-9-oxofluorene-1-carboxylic acid

C21H12O4 — CID 165349284

IUPAC2-benzoyl-9-oxofluorene-1-carboxylic acid
SMILESO=C(c1ccccc1)c1ccc2c(c1C(=O)O)C(=O)c1ccccc1-2
InChIInChI=1S/C21H12O4/c22-19(12-6-2-1-3-7-12)16-11-10-14-13-8-4-5-9-15(13)20(23)17(14)18(16)21(24)25/h1-11H,(H,24,25)
InChIKeyAFABOBHTXXHWJG-UHFFFAOYSA-N
MW328.32 g/mol
LogP3.83
Rot. Bonds3

About 2-benzoyl-9-oxofluorene-1-carboxylic acid

2-benzoyl-9-oxofluorene-1-carboxylic acid (PubChem CID 165349284) has the molecular formula C21H12O4 and a molecular weight of 328.32 g/mol. Its IUPAC name is 2-benzoyl-9-oxofluorene-1-carboxylic acid.

Molecular Properties

Compound Name2-benzoyl-9-oxofluorene-1-carboxylic acid
PubChem CID165349284
Molecular FormulaC21H12O4
Molecular Weight328.32 g/mol
Exact Mass328.07
IUPAC Name2-benzoyl-9-oxofluorene-1-carboxylic acid
SMILESO=C(c1ccccc1)c1ccc2c(c1C(=O)O)C(=O)c1ccccc1-2
InChIInChI=1S/C21H12O4/c22-19(12-6-2-1-3-7-12)16-11-10-14-13-8-4-5-9-15(13)20(23)17(14)18(16)21(24)25/h1-11H,(H,24,25)
InChIKeyAFABOBHTXXHWJG-UHFFFAOYSA-N
XLogP3.83
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-benzoyl-3,4-bis(2,3-dibenzoylphenyl)phenyl]-phenylmethanone
CID 68746067
3,4-dibenzoylphthalic acid
CID 22269446
2-benzoyl-6-phenylbenzoic acid
CID 174388121
9,10-dioxoanthracene-1,2,6-tricarboxylic acid
CID 150170730
1,2-diphenylethane-1,2-dione;phenanthrene-9,10-dione
CID 175371588
9,10-dioxo-2-sulfoanthracene-1-carboxylic acid
CID 154171939
2-amino-6-(4-amino-9,10-dioxoanthracen-1-yl)benzoic acid
CID 154123925
dilithium;9,10-dioxoanthracene-1,2-dicarboxylate
CID 175522887
3-(4-carboxybenzoyl)-2,6-diphenylbenzoic acid
CID 54084972
2-benzoylbenzoic acid;hydrofluoride
CID 70485904
N-(3-benzoylphenyl)-9-oxofluorene-1-carboxamide
CID 141027616
5-benzoylbenzene-1,2,3,4-tetracarboxylic acid
CID 19877064

Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-9-oxofluorene-1-carboxylic acid?
The IUPAC name of 2-benzoyl-9-oxofluorene-1-carboxylic acid (CID 165349284) is 2-benzoyl-9-oxofluorene-1-carboxylic acid.
What is the SMILES notation for 2-benzoyl-9-oxofluorene-1-carboxylic acid?
The canonical SMILES for 2-benzoyl-9-oxofluorene-1-carboxylic acid is O=C(c1ccccc1)c1ccc2c(c1C(=O)O)C(=O)c1ccccc1-2.
What is the InChIKey of 2-benzoyl-9-oxofluorene-1-carboxylic acid?
The InChIKey is AFABOBHTXXHWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12O4/c22-19(12-6-2-1-3-7-12)16-11-10-14-13-8-4-5-9-15(13)20(23)17(14)18(16)21(24)25/h1-11H,(H,24,25).
What are the key properties of 2-benzoyl-9-oxofluorene-1-carboxylic acid?
2-benzoyl-9-oxofluorene-1-carboxylic acid has a molecular weight of 328.32 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-9-oxofluorene-1-carboxylic acid is sourced from PubChem (CID 165349284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).