2,3-dihydro-1H-indol-5-yl-(3,4-dimethoxyphenyl)methanone

C17H17NO3 — CID 116554163

IUPAC2,3-dihydro-1H-indol-5-yl-(3,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc3c(c2)CCN3)cc1OC
InChIInChI=1S/C17H17NO3/c1-20-15-6-4-13(10-16(15)21-2)17(19)12-3-5-14-11(9-12)7-8-18-14/h3-6,9-10,18H,7-8H2,1-2H3
InChIKeyHYMAUPHZUJPTKG-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.90
Rot. Bonds4

About 2,3-dihydro-1H-indol-5-yl-(3,4-dimethoxyphenyl)methanone

2,3-dihydro-1H-indol-5-yl-(3,4-dimethoxyphenyl)methanone (PubChem CID 116554163) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2,3-dihydro-1H-indol-5-yl-(3,4-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-indol-5-yl-(3,4-dimethoxyphenyl)methanone
PubChem CID116554163
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name2,3-dihydro-1H-indol-5-yl-(3,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc3c(c2)CCN3)cc1OC
InChIInChI=1S/C17H17NO3/c1-20-15-6-4-13(10-16(15)21-2)17(19)12-3-5-14-11(9-12)7-8-18-14/h3-6,9-10,18H,7-8H2,1-2H3
InChIKeyHYMAUPHZUJPTKG-UHFFFAOYSA-N
XLogP2.90
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-3-methoxyphenyl)-(2,3-dihydro-1H-indol-5-yl)methanone
CID 116554235
1-(2,3-dihydro-1H-indol-5-yl)ethanone
CID 170999934
3-(2,3-dihydro-1H-indol-5-yl)-4-methoxybenzoic acid
CID 82039141
(5-chloro-2-methoxyphenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone
CID 116554437
2,3-dihydro-1H-indol-5-yl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 114668397
2,3-dihydro-1H-indol-5-yl(pyrimidin-5-yl)methanone
CID 116554112
N-(2,3-dihydro-1H-indol-5-yl)-3-hydroxy-4-methoxybenzamide
CID 79735171
2,3-dihydro-1H-indol-5-yl-(2,4-dimethylphenyl)methanone
CID 116554075
methyl 2-(2,3-dihydro-1H-indole-5-carbonylamino)propanoate
CID 60780386
(2-fluoro-3-methoxyphenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone
CID 116554428
2,3-dihydro-1H-indol-5-yl-(2-propan-2-yloxyphenyl)methanone
CID 116554090
2,3-dihydro-1H-indol-5-yl-(5-propoxy-3-pyridinyl)methanone
CID 116554126

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indol-5-yl-(3,4-dimethoxyphenyl)methanone?
The IUPAC name of 2,3-dihydro-1H-indol-5-yl-(3,4-dimethoxyphenyl)methanone (CID 116554163) is 2,3-dihydro-1H-indol-5-yl-(3,4-dimethoxyphenyl)methanone.
What is the SMILES notation for 2,3-dihydro-1H-indol-5-yl-(3,4-dimethoxyphenyl)methanone?
The canonical SMILES for 2,3-dihydro-1H-indol-5-yl-(3,4-dimethoxyphenyl)methanone is COc1ccc(C(=O)c2ccc3c(c2)CCN3)cc1OC.
What is the InChIKey of 2,3-dihydro-1H-indol-5-yl-(3,4-dimethoxyphenyl)methanone?
The InChIKey is HYMAUPHZUJPTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-20-15-6-4-13(10-16(15)21-2)17(19)12-3-5-14-11(9-12)7-8-18-14/h3-6,9-10,18H,7-8H2,1-2H3.
What are the key properties of 2,3-dihydro-1H-indol-5-yl-(3,4-dimethoxyphenyl)methanone?
2,3-dihydro-1H-indol-5-yl-(3,4-dimethoxyphenyl)methanone has a molecular weight of 283.33 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indol-5-yl-(3,4-dimethoxyphenyl)methanone is sourced from PubChem (CID 116554163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).