ethyl 2-[(3,4-dichloro-8a-ethyl-6-oxo-8,9-dihydro-7H-fluoren-2-yl)oxy]acetate

C19H20Cl2O4 — CID 12806936

IUPACethyl 2-[(3,4-dichloro-8a-ethyl-6-oxo-8,9-dihydro-7H-fluoren-2-yl)oxy]acetate
SMILESCCOC(=O)COc1cc2c(c(Cl)c1Cl)C1=CC(=O)CCC1(CC)C2
InChIInChI=1S/C19H20Cl2O4/c1-3-19-6-5-12(22)8-13(19)16-11(9-19)7-14(17(20)18(16)21)25-10-15(23)24-4-2/h7-8H,3-6,9-10H2,1-2H3
InChIKeyHNCLOGANJQGYFK-UHFFFAOYSA-N
MW383.27 g/mol
LogP4.63
Rot. Bonds5

About ethyl 2-[(3,4-dichloro-8a-ethyl-6-oxo-8,9-dihydro-7H-fluoren-2-yl)oxy]acetate

ethyl 2-[(3,4-dichloro-8a-ethyl-6-oxo-8,9-dihydro-7H-fluoren-2-yl)oxy]acetate (PubChem CID 12806936) has the molecular formula C19H20Cl2O4 and a molecular weight of 383.27 g/mol. Its IUPAC name is ethyl 2-[(3,4-dichloro-8a-ethyl-6-oxo-8,9-dihydro-7H-fluoren-2-yl)oxy]acetate.

Molecular Properties

Compound Nameethyl 2-[(3,4-dichloro-8a-ethyl-6-oxo-8,9-dihydro-7H-fluoren-2-yl)oxy]acetate
PubChem CID12806936
Molecular FormulaC19H20Cl2O4
Molecular Weight383.27 g/mol
Exact Mass382.07
IUPAC Nameethyl 2-[(3,4-dichloro-8a-ethyl-6-oxo-8,9-dihydro-7H-fluoren-2-yl)oxy]acetate
SMILESCCOC(=O)COc1cc2c(c(Cl)c1Cl)C1=CC(=O)CCC1(CC)C2
InChIInChI=1S/C19H20Cl2O4/c1-3-19-6-5-12(22)8-13(19)16-11(9-19)7-14(17(20)18(16)21)25-10-15(23)24-4-2/h7-8H,3-6,9-10H2,1-2H3
InChIKeyHNCLOGANJQGYFK-UHFFFAOYSA-N
XLogP4.63
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.27
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3,4-dichloro-8a-ethyl-6-oxo-8,9-dihydro-7H-fluoren-2-yl)oxy]acetate?
The IUPAC name of ethyl 2-[(3,4-dichloro-8a-ethyl-6-oxo-8,9-dihydro-7H-fluoren-2-yl)oxy]acetate (CID 12806936) is ethyl 2-[(3,4-dichloro-8a-ethyl-6-oxo-8,9-dihydro-7H-fluoren-2-yl)oxy]acetate.
What is the SMILES notation for ethyl 2-[(3,4-dichloro-8a-ethyl-6-oxo-8,9-dihydro-7H-fluoren-2-yl)oxy]acetate?
The canonical SMILES for ethyl 2-[(3,4-dichloro-8a-ethyl-6-oxo-8,9-dihydro-7H-fluoren-2-yl)oxy]acetate is CCOC(=O)COc1cc2c(c(Cl)c1Cl)C1=CC(=O)CCC1(CC)C2.
What is the InChIKey of ethyl 2-[(3,4-dichloro-8a-ethyl-6-oxo-8,9-dihydro-7H-fluoren-2-yl)oxy]acetate?
The InChIKey is HNCLOGANJQGYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2O4/c1-3-19-6-5-12(22)8-13(19)16-11(9-19)7-14(17(20)18(16)21)25-10-15(23)24-4-2/h7-8H,3-6,9-10H2,1-2H3.
What are the key properties of ethyl 2-[(3,4-dichloro-8a-ethyl-6-oxo-8,9-dihydro-7H-fluoren-2-yl)oxy]acetate?
ethyl 2-[(3,4-dichloro-8a-ethyl-6-oxo-8,9-dihydro-7H-fluoren-2-yl)oxy]acetate has a molecular weight of 383.27 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3,4-dichloro-8a-ethyl-6-oxo-8,9-dihydro-7H-fluoren-2-yl)oxy]acetate is sourced from PubChem (CID 12806936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).