propyl 2-[3,6-dichloro-9-oxo-7-(2-oxo-2-propoxyethoxy)fluoren-2-yl]oxyacetate

C23H22Cl2O7 — CID 3078949

IUPACpropyl 2-[3,6-dichloro-9-oxo-7-(2-oxo-2-propoxyethoxy)fluoren-2-yl]oxyacetate
SMILESCCCOC(=O)COc1cc2c(cc1Cl)-c1cc(Cl)c(OCC(=O)OCCC)cc1C2=O
InChIInChI=1S/C23H22Cl2O7/c1-3-5-29-21(26)11-31-19-9-15-13(7-17(19)24)14-8-18(25)20(10-16(14)23(15)28)32-12-22(27)30-6-4-2/h7-10H,3-6,11-12H2,1-2H3
InChIKeyMJQRDCZLZQXAJG-UHFFFAOYSA-N
MW481.33 g/mol
LogP4.87
Rot. Bonds10

About propyl 2-[3,6-dichloro-9-oxo-7-(2-oxo-2-propoxyethoxy)fluoren-2-yl]oxyacetate

propyl 2-[3,6-dichloro-9-oxo-7-(2-oxo-2-propoxyethoxy)fluoren-2-yl]oxyacetate (PubChem CID 3078949) has the molecular formula C23H22Cl2O7 and a molecular weight of 481.33 g/mol. Its IUPAC name is propyl 2-[3,6-dichloro-9-oxo-7-(2-oxo-2-propoxyethoxy)fluoren-2-yl]oxyacetate.

Molecular Properties

Compound Namepropyl 2-[3,6-dichloro-9-oxo-7-(2-oxo-2-propoxyethoxy)fluoren-2-yl]oxyacetate
PubChem CID3078949
Molecular FormulaC23H22Cl2O7
Molecular Weight481.33 g/mol
Exact Mass480.07
IUPAC Namepropyl 2-[3,6-dichloro-9-oxo-7-(2-oxo-2-propoxyethoxy)fluoren-2-yl]oxyacetate
SMILESCCCOC(=O)COc1cc2c(cc1Cl)-c1cc(Cl)c(OCC(=O)OCCC)cc1C2=O
InChIInChI=1S/C23H22Cl2O7/c1-3-5-29-21(26)11-31-19-9-15-13(7-17(19)24)14-8-18(25)20(10-16(14)23(15)28)32-12-22(27)30-6-4-2/h7-10H,3-6,11-12H2,1-2H3
InChIKeyMJQRDCZLZQXAJG-UHFFFAOYSA-N
XLogP4.87
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.33
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze propyl 2-[3,6-dichloro-9-oxo-7-(2-oxo-2-propoxyethoxy)fluoren-2-yl]oxyacetate with MolForge

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Related Compounds

Indacrinone
CID 42266
2-[(2-benzyl-6,7-dichloro-2-methyl-1-oxo-3H-inden-5-yl)oxy]acetic acid
CID 12395596
Ethyl [(5,6-Dichloro-9a-ethyl-3-oxo-1,2,9,9a-tetrahydro-3H-fluoren-7-yl)oxy]acetate
CID 12806936
methyl 2-[(3,4-dichloro-6-oxo-8a-propyl-8,9-dihydro-7H-fluoren-2-yl)oxy]acetate
CID 12806943
2-Oxopropyl [(5,6-Dichloro-9a-ethyl-3-oxo-1,2,9,9a-tetrahydro-3H-fluoren-7-yl)oxy]acetate
CID 12806949
3-hydroxypropyl 2-[(3,4-dichloro-8a-ethyl-6-oxo-8,9-dihydro-7H-fluoren-2-yl)oxy]acetate
CID 12806951
[(5,6-dichloro-3-oxo-9a-propyl-1,2,9,9a-tetrahydro-3H-fluoren-7-yl)oxy]acetic acid
CID 13613310
2-[2-[(3,4-dichloro-8a-ethyl-6-oxo-8,9-dihydro-7H-fluoren-2-yl)oxy]acetyl]oxy-2-methylpropanoic acid
CID 13613351
2-[2-[(3,4-dichloro-6-oxo-8a-propyl-8,9-dihydro-7H-fluoren-2-yl)oxy]acetyl]oxy-2-methylpropanoic acid
CID 13613357
Acetic acid, 2-cyclopentyl-6,7-dichloro-1-oxo-5-indanyloxy-
CID 33796
2-[2-[(3,4-dichloro-6-oxo-8a-propyl-8,9-dihydro-7H-fluoren-2-yl)oxy]acetyl]oxy-2-ethylbutanoic acid
CID 13613359
[(5,6-Dichloro-9a-ethyl-3-oxo-1,2,9,9a-tetrahydro-3H-fluoren-7-yl)oxy]acetic acid
CID 12806939

Frequently Asked Questions

What is the IUPAC name of propyl 2-[3,6-dichloro-9-oxo-7-(2-oxo-2-propoxyethoxy)fluoren-2-yl]oxyacetate?
The IUPAC name of propyl 2-[3,6-dichloro-9-oxo-7-(2-oxo-2-propoxyethoxy)fluoren-2-yl]oxyacetate (CID 3078949) is propyl 2-[3,6-dichloro-9-oxo-7-(2-oxo-2-propoxyethoxy)fluoren-2-yl]oxyacetate.
What is the SMILES notation for propyl 2-[3,6-dichloro-9-oxo-7-(2-oxo-2-propoxyethoxy)fluoren-2-yl]oxyacetate?
The canonical SMILES for propyl 2-[3,6-dichloro-9-oxo-7-(2-oxo-2-propoxyethoxy)fluoren-2-yl]oxyacetate is CCCOC(=O)COc1cc2c(cc1Cl)-c1cc(Cl)c(OCC(=O)OCCC)cc1C2=O.
What is the InChIKey of propyl 2-[3,6-dichloro-9-oxo-7-(2-oxo-2-propoxyethoxy)fluoren-2-yl]oxyacetate?
The InChIKey is MJQRDCZLZQXAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2O7/c1-3-5-29-21(26)11-31-19-9-15-13(7-17(19)24)14-8-18(25)20(10-16(14)23(15)28)32-12-22(27)30-6-4-2/h7-10H,3-6,11-12H2,1-2H3.
What are the key properties of propyl 2-[3,6-dichloro-9-oxo-7-(2-oxo-2-propoxyethoxy)fluoren-2-yl]oxyacetate?
propyl 2-[3,6-dichloro-9-oxo-7-(2-oxo-2-propoxyethoxy)fluoren-2-yl]oxyacetate has a molecular weight of 481.33 g/mol, XLogP of 4.87, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[3,6-dichloro-9-oxo-7-(2-oxo-2-propoxyethoxy)fluoren-2-yl]oxyacetate is sourced from PubChem (CID 3078949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).