2,3-dihydro-1H-indol-6-yl-(2,4,5-trimethylphenyl)methanone

C18H19NO — CID 116611875

IUPAC2,3-dihydro-1H-indol-6-yl-(2,4,5-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)c2ccc3c(c2)NCC3)cc1C
InChIInChI=1S/C18H19NO/c1-11-8-13(3)16(9-12(11)2)18(20)15-5-4-14-6-7-19-17(14)10-15/h4-5,8-10,19H,6-7H2,1-3H3
InChIKeyUWKLPIIWXXDBKM-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.81
Rot. Bonds2

About 2,3-dihydro-1H-indol-6-yl-(2,4,5-trimethylphenyl)methanone

2,3-dihydro-1H-indol-6-yl-(2,4,5-trimethylphenyl)methanone (PubChem CID 116611875) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 2,3-dihydro-1H-indol-6-yl-(2,4,5-trimethylphenyl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-indol-6-yl-(2,4,5-trimethylphenyl)methanone
PubChem CID116611875
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name2,3-dihydro-1H-indol-6-yl-(2,4,5-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)c2ccc3c(c2)NCC3)cc1C
InChIInChI=1S/C18H19NO/c1-11-8-13(3)16(9-12(11)2)18(20)15-5-4-14-6-7-19-17(14)10-15/h4-5,8-10,19H,6-7H2,1-3H3
InChIKeyUWKLPIIWXXDBKM-UHFFFAOYSA-N
XLogP3.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydro-1H-indol-6-yl-(2-methoxy-3,4-dimethylphenyl)methanone
CID 103434951
(3,4-difluorophenyl)-(2,3-dihydro-1H-indol-6-yl)methanone
CID 116611865
2,3-dihydro-1H-indol-5-yl-(2,4-dimethylphenyl)methanone
CID 116554075
2,3-dihydro-1H-indol-6-yl-(2-propoxyphenyl)methanone
CID 116611885
2,3-dihydro-1H-indol-6-yl-(4-propoxyphenyl)methanone
CID 116611963
5-methyl-2,3-dihydro-1H-indole-6-carboxylic acid
CID 117110479
1-(2,3-dihydro-1H-indol-6-yl)-5-methylhexan-1-one
CID 116611981
2,3-dihydro-1H-indol-5-yl-(3-methylthiophen-2-yl)methanone
CID 116554116
N-(3-methylcyclobutyl)-2,3-dihydro-1H-indole-6-carboxamide
CID 113467223
2,3-dihydro-1H-indol-6-yl(morpholin-4-yl)methanone
CID 90299623
1-(2,3-dihydro-1H-indol-6-yl)-4,4,4-trifluorobutan-1-one
CID 116612061
N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2,3-dihydro-1H-indole-6-carboxamide
CID 106276798

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indol-6-yl-(2,4,5-trimethylphenyl)methanone?
The IUPAC name of 2,3-dihydro-1H-indol-6-yl-(2,4,5-trimethylphenyl)methanone (CID 116611875) is 2,3-dihydro-1H-indol-6-yl-(2,4,5-trimethylphenyl)methanone.
What is the SMILES notation for 2,3-dihydro-1H-indol-6-yl-(2,4,5-trimethylphenyl)methanone?
The canonical SMILES for 2,3-dihydro-1H-indol-6-yl-(2,4,5-trimethylphenyl)methanone is Cc1cc(C)c(C(=O)c2ccc3c(c2)NCC3)cc1C.
What is the InChIKey of 2,3-dihydro-1H-indol-6-yl-(2,4,5-trimethylphenyl)methanone?
The InChIKey is UWKLPIIWXXDBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-11-8-13(3)16(9-12(11)2)18(20)15-5-4-14-6-7-19-17(14)10-15/h4-5,8-10,19H,6-7H2,1-3H3.
What are the key properties of 2,3-dihydro-1H-indol-6-yl-(2,4,5-trimethylphenyl)methanone?
2,3-dihydro-1H-indol-6-yl-(2,4,5-trimethylphenyl)methanone has a molecular weight of 265.36 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indol-6-yl-(2,4,5-trimethylphenyl)methanone is sourced from PubChem (CID 116611875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).