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

C19H20Cl2O4 — CID 12806943

IUPACmethyl 2-[(3,4-dichloro-6-oxo-8a-propyl-8,9-dihydro-7H-fluoren-2-yl)oxy]acetate
SMILESCCCC12CCC(=O)C=C1c1c(cc(OCC(=O)OC)c(Cl)c1Cl)C2
InChIInChI=1S/C19H20Cl2O4/c1-3-5-19-6-4-12(22)8-13(19)16-11(9-19)7-14(17(20)18(16)21)25-10-15(23)24-2/h7-8H,3-6,9-10H2,1-2H3
InChIKeyLHXLANDNCCWALX-UHFFFAOYSA-N
MW383.27 g/mol
LogP4.63
Rot. Bonds5

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

methyl 2-[(3,4-dichloro-6-oxo-8a-propyl-8,9-dihydro-7H-fluoren-2-yl)oxy]acetate (PubChem CID 12806943) has the molecular formula C19H20Cl2O4 and a molecular weight of 383.27 g/mol. Its IUPAC name is methyl 2-[(3,4-dichloro-6-oxo-8a-propyl-8,9-dihydro-7H-fluoren-2-yl)oxy]acetate.

Molecular Properties

Compound Namemethyl 2-[(3,4-dichloro-6-oxo-8a-propyl-8,9-dihydro-7H-fluoren-2-yl)oxy]acetate
PubChem CID12806943
Molecular FormulaC19H20Cl2O4
Molecular Weight383.27 g/mol
Exact Mass382.07
IUPAC Namemethyl 2-[(3,4-dichloro-6-oxo-8a-propyl-8,9-dihydro-7H-fluoren-2-yl)oxy]acetate
SMILESCCCC12CCC(=O)C=C1c1c(cc(OCC(=O)OC)c(Cl)c1Cl)C2
InChIInChI=1S/C19H20Cl2O4/c1-3-5-19-6-4-12(22)8-13(19)16-11(9-19)7-14(17(20)18(16)21)25-10-15(23)24-2/h7-8H,3-6,9-10H2,1-2H3
InChIKeyLHXLANDNCCWALX-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 methyl 2-[(3,4-dichloro-6-oxo-8a-propyl-8,9-dihydro-7H-fluoren-2-yl)oxy]acetate?
The IUPAC name of methyl 2-[(3,4-dichloro-6-oxo-8a-propyl-8,9-dihydro-7H-fluoren-2-yl)oxy]acetate (CID 12806943) is methyl 2-[(3,4-dichloro-6-oxo-8a-propyl-8,9-dihydro-7H-fluoren-2-yl)oxy]acetate.
What is the SMILES notation for methyl 2-[(3,4-dichloro-6-oxo-8a-propyl-8,9-dihydro-7H-fluoren-2-yl)oxy]acetate?
The canonical SMILES for methyl 2-[(3,4-dichloro-6-oxo-8a-propyl-8,9-dihydro-7H-fluoren-2-yl)oxy]acetate is CCCC12CCC(=O)C=C1c1c(cc(OCC(=O)OC)c(Cl)c1Cl)C2.
What is the InChIKey of methyl 2-[(3,4-dichloro-6-oxo-8a-propyl-8,9-dihydro-7H-fluoren-2-yl)oxy]acetate?
The InChIKey is LHXLANDNCCWALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2O4/c1-3-5-19-6-4-12(22)8-13(19)16-11(9-19)7-14(17(20)18(16)21)25-10-15(23)24-2/h7-8H,3-6,9-10H2,1-2H3.
What are the key properties of methyl 2-[(3,4-dichloro-6-oxo-8a-propyl-8,9-dihydro-7H-fluoren-2-yl)oxy]acetate?
methyl 2-[(3,4-dichloro-6-oxo-8a-propyl-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 methyl 2-[(3,4-dichloro-6-oxo-8a-propyl-8,9-dihydro-7H-fluoren-2-yl)oxy]acetate is sourced from PubChem (CID 12806943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).