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

C18H19NO2 — CID 116594634

IUPAC2,3-dihydro-1H-indol-3-yl-(4-methoxy-2,5-dimethylphenyl)methanone
SMILESCOc1cc(C)c(C(=O)C2CNc3ccccc32)cc1C
InChIInChI=1S/C18H19NO2/c1-11-9-17(21-3)12(2)8-14(11)18(20)15-10-19-16-7-5-4-6-13(15)16/h4-9,15,19H,10H2,1-3H3
InChIKeyLEXZLTCOEZYKSJ-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.70
Rot. Bonds3

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

2,3-dihydro-1H-indol-3-yl-(4-methoxy-2,5-dimethylphenyl)methanone (PubChem CID 116594634) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2,3-dihydro-1H-indol-3-yl-(4-methoxy-2,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-indol-3-yl-(4-methoxy-2,5-dimethylphenyl)methanone
PubChem CID116594634
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name2,3-dihydro-1H-indol-3-yl-(4-methoxy-2,5-dimethylphenyl)methanone
SMILESCOc1cc(C)c(C(=O)C2CNc3ccccc32)cc1C
InChIInChI=1S/C18H19NO2/c1-11-9-17(21-3)12(2)8-14(11)18(20)15-10-19-16-7-5-4-6-13(15)16/h4-9,15,19H,10H2,1-3H3
InChIKeyLEXZLTCOEZYKSJ-UHFFFAOYSA-N
XLogP3.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1H-indol-3-yl-(4-fluoro-2-methylphenyl)methanone
CID 116594740
2,3-dihydro-1H-indol-3-yl-(3,5-dimethoxyphenyl)methanone
CID 116594626
2,3-dihydro-1H-indol-3-yl-(3-methoxy-2-pyridinyl)methanone
CID 114054329
(2-chlorophenyl)-(2,3-dihydro-1H-indol-3-yl)methanone
CID 116594499
1-(2,3-dihydro-1H-indol-3-yl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 116594701
azetidin-3-yl-(4-methoxy-2,5-dimethylphenyl)methanone
CID 116583756
methyl 2,3-dihydro-1H-indole-3-carboxylate
CID 45073772
(4-methoxy-2,5-dimethylphenyl)-pyrrolidin-2-ylmethanone
CID 82049099
ethyl (3S)-2,3-dihydro-1H-indole-3-carboxylate;hydrochloride
CID 172907953
cyclohexyl-(4-methoxy-2,5-dimethylphenyl)methanone
CID 82049373
9H-fluoren-9-ylmethyl 3-(4-methoxy-2,5-dimethylbenzoyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171940697
2-(2,3-dihydro-1H-indol-3-yl)-1-(2-methoxyphenyl)ethanone
CID 116593595

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indol-3-yl-(4-methoxy-2,5-dimethylphenyl)methanone?
The IUPAC name of 2,3-dihydro-1H-indol-3-yl-(4-methoxy-2,5-dimethylphenyl)methanone (CID 116594634) is 2,3-dihydro-1H-indol-3-yl-(4-methoxy-2,5-dimethylphenyl)methanone.
What is the SMILES notation for 2,3-dihydro-1H-indol-3-yl-(4-methoxy-2,5-dimethylphenyl)methanone?
The canonical SMILES for 2,3-dihydro-1H-indol-3-yl-(4-methoxy-2,5-dimethylphenyl)methanone is COc1cc(C)c(C(=O)C2CNc3ccccc32)cc1C.
What is the InChIKey of 2,3-dihydro-1H-indol-3-yl-(4-methoxy-2,5-dimethylphenyl)methanone?
The InChIKey is LEXZLTCOEZYKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-11-9-17(21-3)12(2)8-14(11)18(20)15-10-19-16-7-5-4-6-13(15)16/h4-9,15,19H,10H2,1-3H3.
What are the key properties of 2,3-dihydro-1H-indol-3-yl-(4-methoxy-2,5-dimethylphenyl)methanone?
2,3-dihydro-1H-indol-3-yl-(4-methoxy-2,5-dimethylphenyl)methanone has a molecular weight of 281.36 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indol-3-yl-(4-methoxy-2,5-dimethylphenyl)methanone is sourced from PubChem (CID 116594634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).