methyl 2-[2-(9-methylfluoren-9-yl)-1H-indol-3-yl]acetate

C25H21NO2 — CID 10737707

IUPACmethyl 2-[2-(9-methylfluoren-9-yl)-1H-indol-3-yl]acetate
SMILESCOC(=O)Cc1c(C2(C)c3ccccc3-c3ccccc32)[nH]c2ccccc12
InChIInChI=1S/C25H21NO2/c1-25(20-12-6-3-9-16(20)17-10-4-7-13-21(17)25)24-19(15-23(27)28-2)18-11-5-8-14-22(18)26-24/h3-14,26H,15H2,1-2H3
InChIKeyRSOIYJQYXOISLQ-UHFFFAOYSA-N
MW367.45 g/mol
LogP5.22
Rot. Bonds3

About methyl 2-[2-(9-methylfluoren-9-yl)-1H-indol-3-yl]acetate

methyl 2-[2-(9-methylfluoren-9-yl)-1H-indol-3-yl]acetate (PubChem CID 10737707) has the molecular formula C25H21NO2 and a molecular weight of 367.45 g/mol. Its IUPAC name is methyl 2-[2-(9-methylfluoren-9-yl)-1H-indol-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(9-methylfluoren-9-yl)-1H-indol-3-yl]acetate
PubChem CID10737707
Molecular FormulaC25H21NO2
Molecular Weight367.45 g/mol
Exact Mass367.16
IUPAC Namemethyl 2-[2-(9-methylfluoren-9-yl)-1H-indol-3-yl]acetate
SMILESCOC(=O)Cc1c(C2(C)c3ccccc3-c3ccccc32)[nH]c2ccccc12
InChIInChI=1S/C25H21NO2/c1-25(20-12-6-3-9-16(20)17-10-4-7-13-21(17)25)24-19(15-23(27)28-2)18-11-5-8-14-22(18)26-24/h3-14,26H,15H2,1-2H3
InChIKeyRSOIYJQYXOISLQ-UHFFFAOYSA-N
XLogP5.22
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.45
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze methyl 2-[2-(9-methylfluoren-9-yl)-1H-indol-3-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-(2-bromo-1H-indol-3-yl)acetate
CID 27281283
methyl 2-[2-(benzylamino)-1H-indol-3-yl]acetate
CID 57046316
methyl 2-[[3-(2-methoxy-2-oxoethyl)-1H-indol-2-yl]methyl]-3-methyl-1,2-dihydroindole-3-carboxylate
CID 174620706
methyl 4-(2-methyl-1H-indol-3-yl)butanoate
CID 10609557
methyl 2-[(2-methyl-1H-indol-3-yl)methyl]prop-2-enoate
CID 15946262
methyl 2-[2-[(E)-oct-4-en-4-yl]-1H-indol-3-yl]acetate
CID 46868381
ethyl 3-(2-ethoxy-2-oxoethyl)-1H-indole-2-carboxylate
CID 11821846
methyl 3-(4-methoxy-4-oxobutyl)-1H-indole-2-carboxylate
CID 68579658
ethyl 2-(2-formyl-1H-indol-3-yl)acetate
CID 82390658
methyl 2-[2-[(1S)-5,8-dihydroxy-4-oxo-2,3-dihydro-1H-naphthalen-1-yl]-1H-indol-3-yl]acetate
CID 170988828
methyl 4-[2-(trifluoromethyl)-1H-indol-3-yl]butanoate
CID 101463365
methyl 2-(2,6-dimethyl-1H-indol-3-yl)acetate
CID 54107367

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(9-methylfluoren-9-yl)-1H-indol-3-yl]acetate?
The IUPAC name of methyl 2-[2-(9-methylfluoren-9-yl)-1H-indol-3-yl]acetate (CID 10737707) is methyl 2-[2-(9-methylfluoren-9-yl)-1H-indol-3-yl]acetate.
What is the SMILES notation for methyl 2-[2-(9-methylfluoren-9-yl)-1H-indol-3-yl]acetate?
The canonical SMILES for methyl 2-[2-(9-methylfluoren-9-yl)-1H-indol-3-yl]acetate is COC(=O)Cc1c(C2(C)c3ccccc3-c3ccccc32)[nH]c2ccccc12.
What is the InChIKey of methyl 2-[2-(9-methylfluoren-9-yl)-1H-indol-3-yl]acetate?
The InChIKey is RSOIYJQYXOISLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO2/c1-25(20-12-6-3-9-16(20)17-10-4-7-13-21(17)25)24-19(15-23(27)28-2)18-11-5-8-14-22(18)26-24/h3-14,26H,15H2,1-2H3.
What are the key properties of methyl 2-[2-(9-methylfluoren-9-yl)-1H-indol-3-yl]acetate?
methyl 2-[2-(9-methylfluoren-9-yl)-1H-indol-3-yl]acetate has a molecular weight of 367.45 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(9-methylfluoren-9-yl)-1H-indol-3-yl]acetate is sourced from PubChem (CID 10737707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).