methyl 2-[[1-[(4-fluorophenyl)methyl]-2-methyl-7,8-dihydro-6H-cyclopenta[g]indol-4-yl]oxy]acetate

C22H22FNO3 — CID 11474082

IUPACmethyl 2-[[1-[(4-fluorophenyl)methyl]-2-methyl-7,8-dihydro-6H-cyclopenta[g]indol-4-yl]oxy]acetate
SMILESCOC(=O)COc1cc2c(c3c1cc(C)n3Cc1ccc(F)cc1)CCC2
InChIInChI=1S/C22H22FNO3/c1-14-10-19-20(27-13-21(25)26-2)11-16-4-3-5-18(16)22(19)24(14)12-15-6-8-17(23)9-7-15/h6-11H,3-5,12-13H2,1-2H3
InChIKeyJIGOLXXPGNPCMD-UHFFFAOYSA-N
MW367.42 g/mol
LogP4.18
Rot. Bonds5

About methyl 2-[[1-[(4-fluorophenyl)methyl]-2-methyl-7,8-dihydro-6H-cyclopenta[g]indol-4-yl]oxy]acetate

methyl 2-[[1-[(4-fluorophenyl)methyl]-2-methyl-7,8-dihydro-6H-cyclopenta[g]indol-4-yl]oxy]acetate (PubChem CID 11474082) has the molecular formula C22H22FNO3 and a molecular weight of 367.42 g/mol. Its IUPAC name is methyl 2-[[1-[(4-fluorophenyl)methyl]-2-methyl-7,8-dihydro-6H-cyclopenta[g]indol-4-yl]oxy]acetate.

Molecular Properties

Compound Namemethyl 2-[[1-[(4-fluorophenyl)methyl]-2-methyl-7,8-dihydro-6H-cyclopenta[g]indol-4-yl]oxy]acetate
PubChem CID11474082
Molecular FormulaC22H22FNO3
Molecular Weight367.42 g/mol
Exact Mass367.16
IUPAC Namemethyl 2-[[1-[(4-fluorophenyl)methyl]-2-methyl-7,8-dihydro-6H-cyclopenta[g]indol-4-yl]oxy]acetate
SMILESCOC(=O)COc1cc2c(c3c1cc(C)n3Cc1ccc(F)cc1)CCC2
InChIInChI=1S/C22H22FNO3/c1-14-10-19-20(27-13-21(25)26-2)11-16-4-3-5-18(16)22(19)24(14)12-15-6-8-17(23)9-7-15/h6-11H,3-5,12-13H2,1-2H3
InChIKeyJIGOLXXPGNPCMD-UHFFFAOYSA-N
XLogP4.18
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-[(4-fluorophenyl)methyl]-2-methyl-7,8-dihydro-6H-cyclopenta[g]indol-4-yl]oxy]acetate?
The IUPAC name of methyl 2-[[1-[(4-fluorophenyl)methyl]-2-methyl-7,8-dihydro-6H-cyclopenta[g]indol-4-yl]oxy]acetate (CID 11474082) is methyl 2-[[1-[(4-fluorophenyl)methyl]-2-methyl-7,8-dihydro-6H-cyclopenta[g]indol-4-yl]oxy]acetate.
What is the SMILES notation for methyl 2-[[1-[(4-fluorophenyl)methyl]-2-methyl-7,8-dihydro-6H-cyclopenta[g]indol-4-yl]oxy]acetate?
The canonical SMILES for methyl 2-[[1-[(4-fluorophenyl)methyl]-2-methyl-7,8-dihydro-6H-cyclopenta[g]indol-4-yl]oxy]acetate is COC(=O)COc1cc2c(c3c1cc(C)n3Cc1ccc(F)cc1)CCC2.
What is the InChIKey of methyl 2-[[1-[(4-fluorophenyl)methyl]-2-methyl-7,8-dihydro-6H-cyclopenta[g]indol-4-yl]oxy]acetate?
The InChIKey is JIGOLXXPGNPCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FNO3/c1-14-10-19-20(27-13-21(25)26-2)11-16-4-3-5-18(16)22(19)24(14)12-15-6-8-17(23)9-7-15/h6-11H,3-5,12-13H2,1-2H3.
What are the key properties of methyl 2-[[1-[(4-fluorophenyl)methyl]-2-methyl-7,8-dihydro-6H-cyclopenta[g]indol-4-yl]oxy]acetate?
methyl 2-[[1-[(4-fluorophenyl)methyl]-2-methyl-7,8-dihydro-6H-cyclopenta[g]indol-4-yl]oxy]acetate has a molecular weight of 367.42 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-[(4-fluorophenyl)methyl]-2-methyl-7,8-dihydro-6H-cyclopenta[g]indol-4-yl]oxy]acetate is sourced from PubChem (CID 11474082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).