2-(2,3-dihydro-1H-indol-3-yl)-1-(2-methoxyphenyl)ethanone

C17H17NO2 — CID 116593595

IUPAC2-(2,3-dihydro-1H-indol-3-yl)-1-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1C(=O)CC1CNc2ccccc21
InChIInChI=1S/C17H17NO2/c1-20-17-9-5-3-7-14(17)16(19)10-12-11-18-15-8-4-2-6-13(12)15/h2-9,12,18H,10-11H2,1H3
InChIKeyHGSGCQGRQIQUIH-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.48
Rot. Bonds4

About 2-(2,3-dihydro-1H-indol-3-yl)-1-(2-methoxyphenyl)ethanone

2-(2,3-dihydro-1H-indol-3-yl)-1-(2-methoxyphenyl)ethanone (PubChem CID 116593595) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-indol-3-yl)-1-(2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-indol-3-yl)-1-(2-methoxyphenyl)ethanone
PubChem CID116593595
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name2-(2,3-dihydro-1H-indol-3-yl)-1-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1C(=O)CC1CNc2ccccc21
InChIInChI=1S/C17H17NO2/c1-20-17-9-5-3-7-14(17)16(19)10-12-11-18-15-8-4-2-6-13(12)15/h2-9,12,18H,10-11H2,1H3
InChIKeyHGSGCQGRQIQUIH-UHFFFAOYSA-N
XLogP3.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-2-fluorophenyl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone
CID 106647229
1-(4-bromothiophen-3-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone
CID 116593567
methyl 2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]benzoate
CID 155924431
2-(2,3-dihydro-1H-indol-3-yl)-1-(4-ethylphenyl)ethanone
CID 116593600
3-(2-methoxyprop-2-enyl)-2,3-dihydro-1H-indole
CID 145312543
propyl 2-(2,3-dihydro-1H-indol-3-yl)acetate
CID 79600080
1-(3-chlorothiophen-2-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone
CID 107361507
N-(cyanomethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573201
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
2-(2,3-dihydro-1H-indol-3-yl)-N',N'-dimethylacetohydrazide
CID 83020755
2-(2,3-dihydro-1H-indol-3-yl)-N-methyl-N-pentan-3-ylacetamide
CID 80573144
1-(2-amino-5-chloro-3-pyridinyl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone
CID 116593507

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-indol-3-yl)-1-(2-methoxyphenyl)ethanone?
The IUPAC name of 2-(2,3-dihydro-1H-indol-3-yl)-1-(2-methoxyphenyl)ethanone (CID 116593595) is 2-(2,3-dihydro-1H-indol-3-yl)-1-(2-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(2,3-dihydro-1H-indol-3-yl)-1-(2-methoxyphenyl)ethanone?
The canonical SMILES for 2-(2,3-dihydro-1H-indol-3-yl)-1-(2-methoxyphenyl)ethanone is COc1ccccc1C(=O)CC1CNc2ccccc21.
What is the InChIKey of 2-(2,3-dihydro-1H-indol-3-yl)-1-(2-methoxyphenyl)ethanone?
The InChIKey is HGSGCQGRQIQUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-20-17-9-5-3-7-14(17)16(19)10-12-11-18-15-8-4-2-6-13(12)15/h2-9,12,18H,10-11H2,1H3.
What are the key properties of 2-(2,3-dihydro-1H-indol-3-yl)-1-(2-methoxyphenyl)ethanone?
2-(2,3-dihydro-1H-indol-3-yl)-1-(2-methoxyphenyl)ethanone has a molecular weight of 267.33 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-indol-3-yl)-1-(2-methoxyphenyl)ethanone is sourced from PubChem (CID 116593595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).