methyl 2-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)acetate

C20H20FNO3 — CID 58303910

IUPACmethyl 2-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)acetate
SMILESCCn1cc(CC(=O)OC)c2c(OCc3ccccc3)cc(F)cc21
InChIInChI=1S/C20H20FNO3/c1-3-22-12-15(9-19(23)24-2)20-17(22)10-16(21)11-18(20)25-13-14-7-5-4-6-8-14/h4-8,10-12H,3,9,13H2,1-2H3
InChIKeyHRRHORLBRDZVPZ-UHFFFAOYSA-N
MW341.38 g/mol
LogP4.09
Rot. Bonds6

About methyl 2-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)acetate

methyl 2-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)acetate (PubChem CID 58303910) has the molecular formula C20H20FNO3 and a molecular weight of 341.38 g/mol. Its IUPAC name is methyl 2-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)acetate
PubChem CID58303910
Molecular FormulaC20H20FNO3
Molecular Weight341.38 g/mol
Exact Mass341.14
IUPAC Namemethyl 2-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)acetate
SMILESCCn1cc(CC(=O)OC)c2c(OCc3ccccc3)cc(F)cc21
InChIInChI=1S/C20H20FNO3/c1-3-22-12-15(9-19(23)24-2)20-17(22)10-16(21)11-18(20)25-13-14-7-5-4-6-8-14/h4-8,10-12H,3,9,13H2,1-2H3
InChIKeyHRRHORLBRDZVPZ-UHFFFAOYSA-N
XLogP4.09
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)ethyl]-2-phenylethanamine
CID 58304017
2-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 58303902
2-(1-ethyl-6-fluoro-4-hydroxyindol-3-yl)acetic acid;2-(1-ethyl-6-fluoro-4-hydroxyindol-3-yl)-1-morpholin-4-ylethanone;1-ethyl-6-fluoro-3-(2-morpholin-4-ylethyl)indol-4-ol;1-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)-3-methoxypropane-1,2-dione;1-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)-3-methoxypropan-2-one;oxane
CID 158030135
3-[2-(benzylamino)ethyl]-1-ethyl-6-fluoroindol-4-ol
CID 50995818
methyl 2-(3-chloro-4-phenylmethoxyphenyl)acetate
CID 561937
methyl 2-[4-(2-methoxyethyl)-2-phenylmethoxyphenyl]acetate
CID 141452623
methyl 3-[3,4-bis(phenylmethoxy)phenyl]-3-oxopropanoate
CID 142350282
(2,3,4,5,6-pentafluorophenyl) 2-(2-phenylmethoxyphenyl)acetate
CID 87805473
methyl 2-(4-phenylmethoxyphenyl)acetate
CID 2756645
3-ethoxy-4-fluoro-5-phenylmethoxybenzoic acid
CID 164895178
3-O-[3,4-bis(phenylmethoxy)phenyl] 1-O-methyl propanedioate
CID 56957808
methyl 6-fluoro-5-phenylmethoxypyridine-3-carboxylate
CID 164892253

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)acetate?
The IUPAC name of methyl 2-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)acetate (CID 58303910) is methyl 2-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)acetate.
What is the SMILES notation for methyl 2-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)acetate?
The canonical SMILES for methyl 2-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)acetate is CCn1cc(CC(=O)OC)c2c(OCc3ccccc3)cc(F)cc21.
What is the InChIKey of methyl 2-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)acetate?
The InChIKey is HRRHORLBRDZVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO3/c1-3-22-12-15(9-19(23)24-2)20-17(22)10-16(21)11-18(20)25-13-14-7-5-4-6-8-14/h4-8,10-12H,3,9,13H2,1-2H3.
What are the key properties of methyl 2-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)acetate?
methyl 2-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)acetate has a molecular weight of 341.38 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)acetate is sourced from PubChem (CID 58303910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).