methyl 2-(5-phenylmethoxyindol-1-yl)acetate

C18H17NO3 — CID 20770836

IUPACmethyl 2-(5-phenylmethoxyindol-1-yl)acetate
SMILESCOC(=O)Cn1ccc2cc(OCc3ccccc3)ccc21
InChIInChI=1S/C18H17NO3/c1-21-18(20)12-19-10-9-15-11-16(7-8-17(15)19)22-13-14-5-3-2-4-6-14/h2-11H,12-13H2,1H3
InChIKeyQTAUBEOYRKFOPW-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.39
Rot. Bonds5

About methyl 2-(5-phenylmethoxyindol-1-yl)acetate

methyl 2-(5-phenylmethoxyindol-1-yl)acetate (PubChem CID 20770836) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is methyl 2-(5-phenylmethoxyindol-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-phenylmethoxyindol-1-yl)acetate
PubChem CID20770836
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Namemethyl 2-(5-phenylmethoxyindol-1-yl)acetate
SMILESCOC(=O)Cn1ccc2cc(OCc3ccccc3)ccc21
InChIInChI=1S/C18H17NO3/c1-21-18(20)12-19-10-9-15-11-16(7-8-17(15)19)22-13-14-5-3-2-4-6-14/h2-11H,12-13H2,1H3
InChIKeyQTAUBEOYRKFOPW-UHFFFAOYSA-N
XLogP3.39
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-phenylmethoxyindol-1-yl)-N-propan-2-ylacetamide
CID 39314820
3-(5-phenylmethoxyindol-1-yl)propanoic acid
CID 22570271
ethane;1-(2-phenylethyl)-5-phenylmethoxyindole
CID 145371075
methyl 2-[5-[3-(6-benzoylnaphthalen-2-yl)oxypropoxy]indol-1-yl]acetate
CID 11569480
2-(5-phenylmethoxyindol-1-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 45493262
methyl 2-(5-hydroxyindol-1-yl)acetate
CID 20770839
4-methylsulfanyl-2-[[2-(5-phenylmethoxyindol-1-yl)acetyl]amino]butanoic acid
CID 75117736
1-(4-methylsulfonylpiperazin-1-yl)-2-(5-phenylmethoxyindol-1-yl)ethanone
CID 45495139
N-[3-(5-phenylmethoxyindol-1-yl)propyl]methanesulfonamide
CID 177163810
methyl 6-phenylmethoxyindole-1-carboxylate
CID 11448893
methyl (2R)-3-methyl-2-[[2-(6-phenylmethoxyindol-1-yl)acetyl]amino]butanoate
CID 124845049
methyl 2-[5-(ethylaminomethyl)indol-1-yl]acetate
CID 102915843

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-phenylmethoxyindol-1-yl)acetate?
The IUPAC name of methyl 2-(5-phenylmethoxyindol-1-yl)acetate (CID 20770836) is methyl 2-(5-phenylmethoxyindol-1-yl)acetate.
What is the SMILES notation for methyl 2-(5-phenylmethoxyindol-1-yl)acetate?
The canonical SMILES for methyl 2-(5-phenylmethoxyindol-1-yl)acetate is COC(=O)Cn1ccc2cc(OCc3ccccc3)ccc21.
What is the InChIKey of methyl 2-(5-phenylmethoxyindol-1-yl)acetate?
The InChIKey is QTAUBEOYRKFOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-21-18(20)12-19-10-9-15-11-16(7-8-17(15)19)22-13-14-5-3-2-4-6-14/h2-11H,12-13H2,1H3.
What are the key properties of methyl 2-(5-phenylmethoxyindol-1-yl)acetate?
methyl 2-(5-phenylmethoxyindol-1-yl)acetate has a molecular weight of 295.34 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-phenylmethoxyindol-1-yl)acetate is sourced from PubChem (CID 20770836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).