[2-(9H-fluoren-3-yl)-2-oxoethyl] 2,6-dichlorobenzoate

C22H14Cl2O3 — CID 7723570

IUPAC[2-(9H-fluoren-3-yl)-2-oxoethyl] 2,6-dichlorobenzoate
SMILESO=C(COC(=O)c1c(Cl)cccc1Cl)c1ccc2c(c1)-c1ccccc1C2
InChIInChI=1S/C22H14Cl2O3/c23-18-6-3-7-19(24)21(18)22(26)27-12-20(25)15-9-8-14-10-13-4-1-2-5-16(13)17(14)11-15/h1-9,11H,10,12H2
InChIKeyQARTVWKUTFBYBU-UHFFFAOYSA-N
MW397.26 g/mol
LogP5.60
Rot. Bonds4

About [2-(9H-fluoren-3-yl)-2-oxoethyl] 2,6-dichlorobenzoate

[2-(9H-fluoren-3-yl)-2-oxoethyl] 2,6-dichlorobenzoate (PubChem CID 7723570) has the molecular formula C22H14Cl2O3 and a molecular weight of 397.26 g/mol. Its IUPAC name is [2-(9H-fluoren-3-yl)-2-oxoethyl] 2,6-dichlorobenzoate.

Molecular Properties

Compound Name[2-(9H-fluoren-3-yl)-2-oxoethyl] 2,6-dichlorobenzoate
PubChem CID7723570
Molecular FormulaC22H14Cl2O3
Molecular Weight397.26 g/mol
Exact Mass396.03
IUPAC Name[2-(9H-fluoren-3-yl)-2-oxoethyl] 2,6-dichlorobenzoate
SMILESO=C(COC(=O)c1c(Cl)cccc1Cl)c1ccc2c(c1)-c1ccccc1C2
InChIInChI=1S/C22H14Cl2O3/c23-18-6-3-7-19(24)21(18)22(26)27-12-20(25)15-9-8-14-10-13-4-1-2-5-16(13)17(14)11-15/h1-9,11H,10,12H2
InChIKeyQARTVWKUTFBYBU-UHFFFAOYSA-N
XLogP5.60
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.26
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [2-(9H-fluoren-3-yl)-2-oxoethyl] 2,6-dichlorobenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(9H-fluoren-3-yl)-2-oxoethyl] 2-chloro-4-fluorobenzoate
CID 7825922
2-(2-chlorophenoxy)-1-(9H-fluoren-3-yl)ethanone
CID 2121351
[2-(9H-fluoren-3-yl)-2-oxoethyl] 3-bromobenzoate
CID 7662912
[2-(9H-fluoren-3-yl)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 7502110
[2-(9H-fluoren-3-yl)-2-oxoethyl] 3-cyanobenzoate
CID 29183065
[2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(trifluoromethyl)benzoate
CID 7859801
[2-(9H-fluoren-3-yl)-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 2445435
[2-(9H-fluoren-3-yl)-2-oxoethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate
CID 2102172
[2-(9H-fluoren-3-yl)-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 16523919
[2-(9H-fluoren-3-yl)-2-oxoethyl] 3-methyl-2-nitrobenzoate
CID 7233811
[2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 7489133
[2-(9H-fluoren-3-yl)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
CID 16527565

Frequently Asked Questions

What is the IUPAC name of [2-(9H-fluoren-3-yl)-2-oxoethyl] 2,6-dichlorobenzoate?
The IUPAC name of [2-(9H-fluoren-3-yl)-2-oxoethyl] 2,6-dichlorobenzoate (CID 7723570) is [2-(9H-fluoren-3-yl)-2-oxoethyl] 2,6-dichlorobenzoate.
What is the SMILES notation for [2-(9H-fluoren-3-yl)-2-oxoethyl] 2,6-dichlorobenzoate?
The canonical SMILES for [2-(9H-fluoren-3-yl)-2-oxoethyl] 2,6-dichlorobenzoate is O=C(COC(=O)c1c(Cl)cccc1Cl)c1ccc2c(c1)-c1ccccc1C2.
What is the InChIKey of [2-(9H-fluoren-3-yl)-2-oxoethyl] 2,6-dichlorobenzoate?
The InChIKey is QARTVWKUTFBYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl2O3/c23-18-6-3-7-19(24)21(18)22(26)27-12-20(25)15-9-8-14-10-13-4-1-2-5-16(13)17(14)11-15/h1-9,11H,10,12H2.
What are the key properties of [2-(9H-fluoren-3-yl)-2-oxoethyl] 2,6-dichlorobenzoate?
[2-(9H-fluoren-3-yl)-2-oxoethyl] 2,6-dichlorobenzoate has a molecular weight of 397.26 g/mol, XLogP of 5.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(9H-fluoren-3-yl)-2-oxoethyl] 2,6-dichlorobenzoate is sourced from PubChem (CID 7723570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).