3-[2-[3-fluoro-5-(3-methoxyoxolan-3-yl)phenoxy]ethyl]-1H-indole

C21H22FNO3 — CID 25031666

IUPAC3-[2-[3-fluoro-5-(3-methoxyoxolan-3-yl)phenoxy]ethyl]-1H-indole
SMILESCOC1(c2cc(F)cc(OCCc3c[nH]c4ccccc34)c2)CCOC1
InChIInChI=1S/C21H22FNO3/c1-24-21(7-9-25-14-21)16-10-17(22)12-18(11-16)26-8-6-15-13-23-20-5-3-2-4-19(15)20/h2-5,10-13,23H,6-9,14H2,1H3
InChIKeyJZDFTIHGSUPBPX-UHFFFAOYSA-N
MW355.41 g/mol
LogP4.19
Rot. Bonds6

About 3-[2-[3-fluoro-5-(3-methoxyoxolan-3-yl)phenoxy]ethyl]-1H-indole

3-[2-[3-fluoro-5-(3-methoxyoxolan-3-yl)phenoxy]ethyl]-1H-indole (PubChem CID 25031666) has the molecular formula C21H22FNO3 and a molecular weight of 355.41 g/mol. Its IUPAC name is 3-[2-[3-fluoro-5-(3-methoxyoxolan-3-yl)phenoxy]ethyl]-1H-indole.

Molecular Properties

Compound Name3-[2-[3-fluoro-5-(3-methoxyoxolan-3-yl)phenoxy]ethyl]-1H-indole
PubChem CID25031666
Molecular FormulaC21H22FNO3
Molecular Weight355.41 g/mol
Exact Mass355.16
IUPAC Name3-[2-[3-fluoro-5-(3-methoxyoxolan-3-yl)phenoxy]ethyl]-1H-indole
SMILESCOC1(c2cc(F)cc(OCCc3c[nH]c4ccccc34)c2)CCOC1
InChIInChI=1S/C21H22FNO3/c1-24-21(7-9-25-14-21)16-10-17(22)12-18(11-16)26-8-6-15-13-23-20-5-3-2-4-19(15)20/h2-5,10-13,23H,6-9,14H2,1H3
InChIKeyJZDFTIHGSUPBPX-UHFFFAOYSA-N
XLogP4.19
TPSA43.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[2-[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]ethyl]-4-phenyl-1,3-oxazol-5-yl]benzenesulfonamide
CID 22246338
3-[2-(methoxymethoxy)ethyl]-1H-indole
CID 15147146
3-amino-N-[2-(1H-indol-3-yl)ethyl]oxolane-3-carboxamide
CID 64893613
3-(4-fluorophenoxy)propyl 3-(1H-indol-3-yl)propanoate
CID 7169174
3-[2-[(E)-prop-1-enoxy]ethyl]-1H-indole
CID 102132135
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
3-[2-(3-methoxyphenyl)ethyl]-1H-indole
CID 22038177
3-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1H-indole
CID 117007752
1-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine
CID 110995387
6-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]-3-methyl-1,3-benzothiazol-2-one
CID 14985922
2-(1H-indol-3-yl)ethanamine;methyl hypoiodite
CID 143451156
2-(1H-indol-3-yl)-N,N-dimethoxyethanamine
CID 87617375

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-fluoro-5-(3-methoxyoxolan-3-yl)phenoxy]ethyl]-1H-indole?
The IUPAC name of 3-[2-[3-fluoro-5-(3-methoxyoxolan-3-yl)phenoxy]ethyl]-1H-indole (CID 25031666) is 3-[2-[3-fluoro-5-(3-methoxyoxolan-3-yl)phenoxy]ethyl]-1H-indole.
What is the SMILES notation for 3-[2-[3-fluoro-5-(3-methoxyoxolan-3-yl)phenoxy]ethyl]-1H-indole?
The canonical SMILES for 3-[2-[3-fluoro-5-(3-methoxyoxolan-3-yl)phenoxy]ethyl]-1H-indole is COC1(c2cc(F)cc(OCCc3c[nH]c4ccccc34)c2)CCOC1.
What is the InChIKey of 3-[2-[3-fluoro-5-(3-methoxyoxolan-3-yl)phenoxy]ethyl]-1H-indole?
The InChIKey is JZDFTIHGSUPBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FNO3/c1-24-21(7-9-25-14-21)16-10-17(22)12-18(11-16)26-8-6-15-13-23-20-5-3-2-4-19(15)20/h2-5,10-13,23H,6-9,14H2,1H3.
What are the key properties of 3-[2-[3-fluoro-5-(3-methoxyoxolan-3-yl)phenoxy]ethyl]-1H-indole?
3-[2-[3-fluoro-5-(3-methoxyoxolan-3-yl)phenoxy]ethyl]-1H-indole has a molecular weight of 355.41 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-fluoro-5-(3-methoxyoxolan-3-yl)phenoxy]ethyl]-1H-indole is sourced from PubChem (CID 25031666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).