[2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(2-methylphenyl)acetate

C24H20O3 — CID 7489133

IUPAC[2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(2-methylphenyl)acetate
SMILESCc1ccccc1CC(=O)OCC(=O)c1ccc2c(c1)-c1ccccc1C2
InChIInChI=1S/C24H20O3/c1-16-6-2-3-7-17(16)14-24(26)27-15-23(25)20-11-10-19-12-18-8-4-5-9-21(18)22(19)13-20/h2-11,13H,12,14-15H2,1H3
InChIKeyFGKZQJHTIRYVDH-UHFFFAOYSA-N
MW356.42 g/mol
LogP4.53
Rot. Bonds5

About [2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(2-methylphenyl)acetate

[2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(2-methylphenyl)acetate (PubChem CID 7489133) has the molecular formula C24H20O3 and a molecular weight of 356.42 g/mol. Its IUPAC name is [2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(2-methylphenyl)acetate.

Molecular Properties

Compound Name[2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(2-methylphenyl)acetate
PubChem CID7489133
Molecular FormulaC24H20O3
Molecular Weight356.42 g/mol
Exact Mass356.14
IUPAC Name[2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(2-methylphenyl)acetate
SMILESCc1ccccc1CC(=O)OCC(=O)c1ccc2c(c1)-c1ccccc1C2
InChIInChI=1S/C24H20O3/c1-16-6-2-3-7-17(16)14-24(26)27-15-23(25)20-11-10-19-12-18-8-4-5-9-21(18)22(19)13-20/h2-11,13H,12,14-15H2,1H3
InChIKeyFGKZQJHTIRYVDH-UHFFFAOYSA-N
XLogP4.53
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(9H-fluoren-3-yl)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 2438123
[2-(9H-fluoren-3-yl)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate
CID 29155280
[2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate
CID 7855454
[2-(9H-fluoren-3-yl)-2-oxoethyl] 3-methyl-2-nitrobenzoate
CID 7233811
[2-(9H-fluoren-3-yl)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 7502110
[2-(9H-fluoren-3-yl)-2-oxoethyl] (2E,4E)-hexa-2,4-dienoate
CID 7779040
[2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(trifluoromethyl)benzoate
CID 7859801
[2-(9H-fluoren-3-yl)-2-oxoethyl] 2,6-dichlorobenzoate
CID 7723570
[2-(9H-fluoren-3-yl)-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 2445435
[2-(9H-fluoren-3-yl)-2-oxoethyl] 3-bromobenzoate
CID 7662912
[2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 7632864
[2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(2-oxo-1,3-thiazolidin-3-yl)acetate
CID 7632115

Frequently Asked Questions

What is the IUPAC name of [2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(2-methylphenyl)acetate?
The IUPAC name of [2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(2-methylphenyl)acetate (CID 7489133) is [2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(2-methylphenyl)acetate.
What is the SMILES notation for [2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(2-methylphenyl)acetate?
The canonical SMILES for [2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(2-methylphenyl)acetate is Cc1ccccc1CC(=O)OCC(=O)c1ccc2c(c1)-c1ccccc1C2.
What is the InChIKey of [2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(2-methylphenyl)acetate?
The InChIKey is FGKZQJHTIRYVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O3/c1-16-6-2-3-7-17(16)14-24(26)27-15-23(25)20-11-10-19-12-18-8-4-5-9-21(18)22(19)13-20/h2-11,13H,12,14-15H2,1H3.
What are the key properties of [2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(2-methylphenyl)acetate?
[2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(2-methylphenyl)acetate has a molecular weight of 356.42 g/mol, XLogP of 4.53, 5 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-(2-methylphenyl)acetate is sourced from PubChem (CID 7489133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).