2-[(5,6-dichloro-9a-ethyl-3-oxo-2,9-dihydro-1H-fluoren-9-yl)oxy]acetic acid

C17H16Cl2O4 — CID 20520821

IUPAC2-[(5,6-dichloro-9a-ethyl-3-oxo-2,9-dihydro-1H-fluoren-9-yl)oxy]acetic acid
SMILESCCC12CCC(=O)C=C1c1c(ccc(Cl)c1Cl)C2OCC(=O)O
InChIInChI=1S/C17H16Cl2O4/c1-2-17-6-5-9(20)7-11(17)14-10(3-4-12(18)15(14)19)16(17)23-8-13(21)22/h3-4,7,16H,2,5-6,8H2,1H3,(H,21,22)
InChIKeyFRQDOWCGPQWZSY-UHFFFAOYSA-N
MW355.22 g/mol
LogP4.29
Rot. Bonds4

About 2-[(5,6-dichloro-9a-ethyl-3-oxo-2,9-dihydro-1H-fluoren-9-yl)oxy]acetic acid

2-[(5,6-dichloro-9a-ethyl-3-oxo-2,9-dihydro-1H-fluoren-9-yl)oxy]acetic acid (PubChem CID 20520821) has the molecular formula C17H16Cl2O4 and a molecular weight of 355.22 g/mol. Its IUPAC name is 2-[(5,6-dichloro-9a-ethyl-3-oxo-2,9-dihydro-1H-fluoren-9-yl)oxy]acetic acid.

Molecular Properties

Compound Name2-[(5,6-dichloro-9a-ethyl-3-oxo-2,9-dihydro-1H-fluoren-9-yl)oxy]acetic acid
PubChem CID20520821
Molecular FormulaC17H16Cl2O4
Molecular Weight355.22 g/mol
Exact Mass354.04
IUPAC Name2-[(5,6-dichloro-9a-ethyl-3-oxo-2,9-dihydro-1H-fluoren-9-yl)oxy]acetic acid
SMILESCCC12CCC(=O)C=C1c1c(ccc(Cl)c1Cl)C2OCC(=O)O
InChIInChI=1S/C17H16Cl2O4/c1-2-17-6-5-9(20)7-11(17)14-10(3-4-12(18)15(14)19)16(17)23-8-13(21)22/h3-4,7,16H,2,5-6,8H2,1H3,(H,21,22)
InChIKeyFRQDOWCGPQWZSY-UHFFFAOYSA-N
XLogP4.29
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.22
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(5,6-dichloro-9a-ethyl-3-oxo-2,9-dihydro-1H-fluoren-9-yl)oxy]acetic acid with MolForge

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Launch Full Analysis

Related Compounds

2-[[(8aR)-3,4-dichloro-8a-ethyl-6-oxo-8,9-dihydro-7H-fluoren-2-yl]oxy]acetic acid
CID 12806940
2-[4-[(4,5-dichloro-2-cyclopentyl-2-methyl-3-oxo-1H-inden-1-yl)oxy]butanoyloxy]-2-methylpropanoic acid
CID 57043420
2-[(3,4-dichloro-6,9-dioxo-8a-propyl-7,8-dihydrofluoren-2-yl)oxy]acetamide;2-[(3,4-dichloro-6,9-dioxo-8a-propyl-7,8-dihydrofluoren-2-yl)oxy]acetic acid
CID 70387287
2-(2,3-dichlorophenoxy)acetic acid;ethanol
CID 174851678
2-[(3,4-dichloro-8a-ethyl-6-oxo-8,9-dihydro-7H-fluoren-2-yl)oxy]-5-hydroxy-4-oxopentanoic acid
CID 70517272
tert-butyl 2-[[2-[(3,4-dichloro-8a-ethyl-6-oxo-8,9-dihydro-7H-fluoren-2-yl)oxy]acetyl]amino]acetate
CID 20520810
2-[(3,4-dichloro-8a-ethyl-6-oxo-8,9-dihydro-7H-fluoren-2-yl)oxy]-4-methoxybutanoic acid
CID 70517094
3,4-diethyl-4-hydroxycyclohex-2-en-1-one
CID 134895720
4,5-dichloro-3-ethyl-3-hydroxy-1H-indol-2-one
CID 102496397
6-(2,3-dichlorophenyl)-3-oxocyclohexene-1-carboxylic acid
CID 134101613
ethyl 2-(2-amino-4,5-dichloro-1-methyl-3-oxo-2H-inden-1-yl)acetate
CID 10521976
methyl (1S,6R)-6-(2,3-dichlorophenyl)-2-methyl-4-oxocyclohex-2-ene-1-carboxylate
CID 172990472

Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-dichloro-9a-ethyl-3-oxo-2,9-dihydro-1H-fluoren-9-yl)oxy]acetic acid?
The IUPAC name of 2-[(5,6-dichloro-9a-ethyl-3-oxo-2,9-dihydro-1H-fluoren-9-yl)oxy]acetic acid (CID 20520821) is 2-[(5,6-dichloro-9a-ethyl-3-oxo-2,9-dihydro-1H-fluoren-9-yl)oxy]acetic acid.
What is the SMILES notation for 2-[(5,6-dichloro-9a-ethyl-3-oxo-2,9-dihydro-1H-fluoren-9-yl)oxy]acetic acid?
The canonical SMILES for 2-[(5,6-dichloro-9a-ethyl-3-oxo-2,9-dihydro-1H-fluoren-9-yl)oxy]acetic acid is CCC12CCC(=O)C=C1c1c(ccc(Cl)c1Cl)C2OCC(=O)O.
What is the InChIKey of 2-[(5,6-dichloro-9a-ethyl-3-oxo-2,9-dihydro-1H-fluoren-9-yl)oxy]acetic acid?
The InChIKey is FRQDOWCGPQWZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2O4/c1-2-17-6-5-9(20)7-11(17)14-10(3-4-12(18)15(14)19)16(17)23-8-13(21)22/h3-4,7,16H,2,5-6,8H2,1H3,(H,21,22).
What are the key properties of 2-[(5,6-dichloro-9a-ethyl-3-oxo-2,9-dihydro-1H-fluoren-9-yl)oxy]acetic acid?
2-[(5,6-dichloro-9a-ethyl-3-oxo-2,9-dihydro-1H-fluoren-9-yl)oxy]acetic acid has a molecular weight of 355.22 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-dichloro-9a-ethyl-3-oxo-2,9-dihydro-1H-fluoren-9-yl)oxy]acetic acid is sourced from PubChem (CID 20520821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).