2,3-dihydroindol-1-yl-(3,5-dimethoxyphenyl)methanone

C17H17NO3 — CID 687165

IUPAC2,3-dihydroindol-1-yl-(3,5-dimethoxyphenyl)methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C17H17NO3/c1-20-14-9-13(10-15(11-14)21-2)17(19)18-8-7-12-5-3-4-6-16(12)18/h3-6,9-11H,7-8H2,1-2H3
InChIKeyACTOMWYLRMAFMW-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.91
Rot. Bonds3

About 2,3-dihydroindol-1-yl-(3,5-dimethoxyphenyl)methanone

2,3-dihydroindol-1-yl-(3,5-dimethoxyphenyl)methanone (PubChem CID 687165) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-(3,5-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-(3,5-dimethoxyphenyl)methanone
PubChem CID687165
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name2,3-dihydroindol-1-yl-(3,5-dimethoxyphenyl)methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C17H17NO3/c1-20-14-9-13(10-15(11-14)21-2)17(19)18-8-7-12-5-3-4-6-16(12)18/h3-6,9-11H,7-8H2,1-2H3
InChIKeyACTOMWYLRMAFMW-UHFFFAOYSA-N
XLogP2.91
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(3,5-dimethoxybenzoyl)-2,3-dihydroindol-5-yl]ethanone
CID 110737350
(3-bromo-4-hydroxy-5-methoxyphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 18165322
(5-methoxy-2,3-dihydroindol-1-yl)-phenylmethanone
CID 86659859
3,4-dihydro-2H-quinolin-1-yl-(3-methoxyphenyl)methanone
CID 755245
(3,5-dimethoxyphenyl)-(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)methanone
CID 110315984
[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 3,5-dimethoxybenzoate
CID 16523585
(3-bromo-4-methoxyphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 675985
(3,5-difluorophenyl)-(2,3-dihydroindol-1-yl)methanone
CID 4815727
N-[(2S)-1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
CID 2125179
[4-(2,3-dihydroindole-1-carbonyl)phenyl] acetate
CID 578309
2,3-dihydroindol-1-yl-(3,4-dimethylphenyl)methanone
CID 669367
3-(2,3-dihydroindole-1-carbonyl)benzoic acid
CID 43452867

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-(3,5-dimethoxyphenyl)methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-(3,5-dimethoxyphenyl)methanone (CID 687165) is 2,3-dihydroindol-1-yl-(3,5-dimethoxyphenyl)methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-(3,5-dimethoxyphenyl)methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-(3,5-dimethoxyphenyl)methanone is COc1cc(OC)cc(C(=O)N2CCc3ccccc32)c1.
What is the InChIKey of 2,3-dihydroindol-1-yl-(3,5-dimethoxyphenyl)methanone?
The InChIKey is ACTOMWYLRMAFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-20-14-9-13(10-15(11-14)21-2)17(19)18-8-7-12-5-3-4-6-16(12)18/h3-6,9-11H,7-8H2,1-2H3.
What are the key properties of 2,3-dihydroindol-1-yl-(3,5-dimethoxyphenyl)methanone?
2,3-dihydroindol-1-yl-(3,5-dimethoxyphenyl)methanone has a molecular weight of 283.33 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-(3,5-dimethoxyphenyl)methanone is sourced from PubChem (CID 687165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).