3-[2-(3-methoxyphenyl)ethyl]-1H-indole

C17H17NO — CID 22038177

IUPAC3-[2-(3-methoxyphenyl)ethyl]-1H-indole
SMILESCOc1cccc(CCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C17H17NO/c1-19-15-6-4-5-13(11-15)9-10-14-12-18-17-8-3-2-7-16(14)17/h2-8,11-12,18H,9-10H2,1H3
InChIKeyQWXDFIQPPURIAK-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.96
Rot. Bonds4

About 3-[2-(3-methoxyphenyl)ethyl]-1H-indole

3-[2-(3-methoxyphenyl)ethyl]-1H-indole (PubChem CID 22038177) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-[2-(3-methoxyphenyl)ethyl]-1H-indole.

Molecular Properties

Compound Name3-[2-(3-methoxyphenyl)ethyl]-1H-indole
PubChem CID22038177
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name3-[2-(3-methoxyphenyl)ethyl]-1H-indole
SMILESCOc1cccc(CCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C17H17NO/c1-19-15-6-4-5-13(11-15)9-10-14-12-18-17-8-3-2-7-16(14)17/h2-8,11-12,18H,9-10H2,1H3
InChIKeyQWXDFIQPPURIAK-UHFFFAOYSA-N
XLogP3.96
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N'-[2-(1H-indol-3-yl)ethyl]-N-[2-(3-methoxyphenyl)ethyl]propanediamide
CID 108948641
3-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 4782159
2-(3-methoxyphenyl)ethyl 4-(1H-indol-3-yl)butanedithioate
CID 58171051
4-N-[2-(1H-indol-3-yl)ethyl]-6-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112861587
2-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]ethanamine;oxalic acid
CID 126477720
N-[2-(1H-indol-3-yl)ethyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide
CID 109000852
(3,5-dimethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]azanium
CID 2055772
4-N-[2-(1H-indol-3-yl)ethyl]-2-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895241
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium
CID 8789196
(2S)-3-(1H-indol-3-yl)-2-[(3-methoxyphenyl)methylamino]propan-1-ol
CID 122600778
1-ethyl-3-[3-(1H-indol-3-yl)propyl]-2-[(3-methoxyphenyl)methyl]guanidine
CID 111753307
2-[2-(1H-indol-3-yl)ethyl]-4,5-bis(3-methoxyphenyl)-1,3-oxazole
CID 126494895

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methoxyphenyl)ethyl]-1H-indole?
The IUPAC name of 3-[2-(3-methoxyphenyl)ethyl]-1H-indole (CID 22038177) is 3-[2-(3-methoxyphenyl)ethyl]-1H-indole.
What is the SMILES notation for 3-[2-(3-methoxyphenyl)ethyl]-1H-indole?
The canonical SMILES for 3-[2-(3-methoxyphenyl)ethyl]-1H-indole is COc1cccc(CCc2c[nH]c3ccccc23)c1.
What is the InChIKey of 3-[2-(3-methoxyphenyl)ethyl]-1H-indole?
The InChIKey is QWXDFIQPPURIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-19-15-6-4-5-13(11-15)9-10-14-12-18-17-8-3-2-7-16(14)17/h2-8,11-12,18H,9-10H2,1H3.
What are the key properties of 3-[2-(3-methoxyphenyl)ethyl]-1H-indole?
3-[2-(3-methoxyphenyl)ethyl]-1H-indole has a molecular weight of 251.33 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methoxyphenyl)ethyl]-1H-indole is sourced from PubChem (CID 22038177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).