methyl 2-[5-(2-methoxyphenyl)-1H-indol-3-yl]acetate

C18H17NO3 — CID 131953222

IUPACmethyl 2-[5-(2-methoxyphenyl)-1H-indol-3-yl]acetate
SMILESCOC(=O)Cc1c[nH]c2ccc(-c3ccccc3OC)cc12
InChIInChI=1S/C18H17NO3/c1-21-17-6-4-3-5-14(17)12-7-8-16-15(9-12)13(11-19-16)10-18(20)22-2/h3-9,11,19H,10H2,1-2H3
InChIKeyABAXCTGKASWLNN-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.56
Rot. Bonds4

About methyl 2-[5-(2-methoxyphenyl)-1H-indol-3-yl]acetate

methyl 2-[5-(2-methoxyphenyl)-1H-indol-3-yl]acetate (PubChem CID 131953222) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is methyl 2-[5-(2-methoxyphenyl)-1H-indol-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-(2-methoxyphenyl)-1H-indol-3-yl]acetate
PubChem CID131953222
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Namemethyl 2-[5-(2-methoxyphenyl)-1H-indol-3-yl]acetate
SMILESCOC(=O)Cc1c[nH]c2ccc(-c3ccccc3OC)cc12
InChIInChI=1S/C18H17NO3/c1-21-17-6-4-3-5-14(17)12-7-8-16-15(9-12)13(11-19-16)10-18(20)22-2/h3-9,11,19H,10H2,1-2H3
InChIKeyABAXCTGKASWLNN-UHFFFAOYSA-N
XLogP3.56
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Hydroxyindoleacetic Acid
CID 1826
5-Methoxyindoleacetic acid
CID 18986
5-Methoxytryptophan
CID 151018
Go 6983
CID 3499
methyl 1H-indole-5-carboxylate
CID 2737635
Ketone, indol-3-yl p-methoxyphenyl (6CI,8CI)
CID 211017
GR 46611
CID 6160690
methyl 6-methoxy-9H-carbazole-3-carboxylate
CID 14804151
(3-(2-(diethylamino)ethyl)-1H-indol-4-yl) acetate
CID 24801867
4-(benzyloxy)-1H-indole-3-carbaldehyde
CID 7015846
Methyl alpha-(aminomethyl)-5-methoxy-1H-indole-3-acetate
CID 71987
O-Acetylpsilocin
CID 15429212

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(2-methoxyphenyl)-1H-indol-3-yl]acetate?
The IUPAC name of methyl 2-[5-(2-methoxyphenyl)-1H-indol-3-yl]acetate (CID 131953222) is methyl 2-[5-(2-methoxyphenyl)-1H-indol-3-yl]acetate.
What is the SMILES notation for methyl 2-[5-(2-methoxyphenyl)-1H-indol-3-yl]acetate?
The canonical SMILES for methyl 2-[5-(2-methoxyphenyl)-1H-indol-3-yl]acetate is COC(=O)Cc1c[nH]c2ccc(-c3ccccc3OC)cc12.
What is the InChIKey of methyl 2-[5-(2-methoxyphenyl)-1H-indol-3-yl]acetate?
The InChIKey is ABAXCTGKASWLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-21-17-6-4-3-5-14(17)12-7-8-16-15(9-12)13(11-19-16)10-18(20)22-2/h3-9,11,19H,10H2,1-2H3.
What are the key properties of methyl 2-[5-(2-methoxyphenyl)-1H-indol-3-yl]acetate?
methyl 2-[5-(2-methoxyphenyl)-1H-indol-3-yl]acetate has a molecular weight of 295.34 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(2-methoxyphenyl)-1H-indol-3-yl]acetate is sourced from PubChem (CID 131953222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).