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

C16H15NO — CID 102404836

IUPAC3-[(2-methoxyphenyl)methyl]-1H-indole
SMILESCOc1ccccc1Cc1c[nH]c2ccccc12
InChIInChI=1S/C16H15NO/c1-18-16-9-5-2-6-12(16)10-13-11-17-15-8-4-3-7-14(13)15/h2-9,11,17H,10H2,1H3
InChIKeyBQZKTQOKIZYNJG-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.77
Rot. Bonds3

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

3-[(2-methoxyphenyl)methyl]-1H-indole (PubChem CID 102404836) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-[(2-methoxyphenyl)methyl]-1H-indole.

Molecular Properties

Compound Name3-[(2-methoxyphenyl)methyl]-1H-indole
PubChem CID102404836
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name3-[(2-methoxyphenyl)methyl]-1H-indole
SMILESCOc1ccccc1Cc1c[nH]c2ccccc12
InChIInChI=1S/C16H15NO/c1-18-16-9-5-2-6-12(16)10-13-11-17-15-8-4-3-7-14(13)15/h2-9,11,17H,10H2,1H3
InChIKeyBQZKTQOKIZYNJG-UHFFFAOYSA-N
XLogP3.77
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-1H-indole
CID 712566
N-(1H-indol-3-ylmethyl)-1-(2-methoxyphenyl)ethanamine
CID 60663811
(1R)-N-(1H-indol-3-ylmethyl)-1-(2-methoxyphenyl)ethanamine
CID 81389478
N-[2-(1H-indol-3-yl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 4796568
N-[2-(1H-indol-3-yl)ethyl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 110733094
1-[2-(1H-indol-3-yl)ethyl]-3-[2-(2-methoxyphenyl)ethyl]-2-methylguanidine;hydroiodide
CID 110996658
2-(1H-indol-3-ylmethyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium
CID 2057057
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-(2-methoxyphenyl)acetate
CID 9337378
N-(1H-indol-3-ylmethyl)-2-(2-methoxyphenoxy)acetamide
CID 110357480
N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-indol-3-yl)methanamine
CID 103291932
[3-(1H-indol-3-yl)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]carbamic acid;hydrate
CID 174323303
4-N-[2-(1H-indol-3-yl)ethyl]-2-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895017

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyphenyl)methyl]-1H-indole?
The IUPAC name of 3-[(2-methoxyphenyl)methyl]-1H-indole (CID 102404836) is 3-[(2-methoxyphenyl)methyl]-1H-indole.
What is the SMILES notation for 3-[(2-methoxyphenyl)methyl]-1H-indole?
The canonical SMILES for 3-[(2-methoxyphenyl)methyl]-1H-indole is COc1ccccc1Cc1c[nH]c2ccccc12.
What is the InChIKey of 3-[(2-methoxyphenyl)methyl]-1H-indole?
The InChIKey is BQZKTQOKIZYNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c1-18-16-9-5-2-6-12(16)10-13-11-17-15-8-4-3-7-14(13)15/h2-9,11,17H,10H2,1H3.
What are the key properties of 3-[(2-methoxyphenyl)methyl]-1H-indole?
3-[(2-methoxyphenyl)methyl]-1H-indole has a molecular weight of 237.30 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyphenyl)methyl]-1H-indole is sourced from PubChem (CID 102404836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).