2-(2,4-dimethylphenyl)-1-propan-2-yl-6,7-dihydro-5H-indol-4-one

C19H23NO — CID 59052499

IUPAC2-(2,4-dimethylphenyl)-1-propan-2-yl-6,7-dihydro-5H-indol-4-one
SMILESCc1ccc(-c2cc3c(n2C(C)C)CCCC3=O)c(C)c1
InChIInChI=1S/C19H23NO/c1-12(2)20-17-6-5-7-19(21)16(17)11-18(20)15-9-8-13(3)10-14(15)4/h8-12H,5-7H2,1-4H3
InChIKeyZZXOHRAKBWIPKM-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.87
Rot. Bonds2

About 2-(2,4-dimethylphenyl)-1-propan-2-yl-6,7-dihydro-5H-indol-4-one

2-(2,4-dimethylphenyl)-1-propan-2-yl-6,7-dihydro-5H-indol-4-one (PubChem CID 59052499) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-1-propan-2-yl-6,7-dihydro-5H-indol-4-one.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-1-propan-2-yl-6,7-dihydro-5H-indol-4-one
PubChem CID59052499
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name2-(2,4-dimethylphenyl)-1-propan-2-yl-6,7-dihydro-5H-indol-4-one
SMILESCc1ccc(-c2cc3c(n2C(C)C)CCCC3=O)c(C)c1
InChIInChI=1S/C19H23NO/c1-12(2)20-17-6-5-7-19(21)16(17)11-18(20)15-9-8-13(3)10-14(15)4/h8-12H,5-7H2,1-4H3
InChIKeyZZXOHRAKBWIPKM-UHFFFAOYSA-N
XLogP4.87
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-1-propan-2-yl-6,7-dihydro-5H-indol-4-one?
The IUPAC name of 2-(2,4-dimethylphenyl)-1-propan-2-yl-6,7-dihydro-5H-indol-4-one (CID 59052499) is 2-(2,4-dimethylphenyl)-1-propan-2-yl-6,7-dihydro-5H-indol-4-one.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-1-propan-2-yl-6,7-dihydro-5H-indol-4-one?
The canonical SMILES for 2-(2,4-dimethylphenyl)-1-propan-2-yl-6,7-dihydro-5H-indol-4-one is Cc1ccc(-c2cc3c(n2C(C)C)CCCC3=O)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-1-propan-2-yl-6,7-dihydro-5H-indol-4-one?
The InChIKey is ZZXOHRAKBWIPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-12(2)20-17-6-5-7-19(21)16(17)11-18(20)15-9-8-13(3)10-14(15)4/h8-12H,5-7H2,1-4H3.
What are the key properties of 2-(2,4-dimethylphenyl)-1-propan-2-yl-6,7-dihydro-5H-indol-4-one?
2-(2,4-dimethylphenyl)-1-propan-2-yl-6,7-dihydro-5H-indol-4-one has a molecular weight of 281.40 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-1-propan-2-yl-6,7-dihydro-5H-indol-4-one is sourced from PubChem (CID 59052499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).