5-(3-methoxy-4-methylbenzoyl)-1,3-dihydroindol-2-one

C17H15NO3 — CID 43338590

IUPAC5-(3-methoxy-4-methylbenzoyl)-1,3-dihydroindol-2-one
SMILESCOc1cc(C(=O)c2ccc3c(c2)CC(=O)N3)ccc1C
InChIInChI=1S/C17H15NO3/c1-10-3-4-12(8-15(10)21-2)17(20)11-5-6-14-13(7-11)9-16(19)18-14/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyCHGUDDAHRICJGJ-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.73
Rot. Bonds3

About 5-(3-methoxy-4-methylbenzoyl)-1,3-dihydroindol-2-one

5-(3-methoxy-4-methylbenzoyl)-1,3-dihydroindol-2-one (PubChem CID 43338590) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 5-(3-methoxy-4-methylbenzoyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(3-methoxy-4-methylbenzoyl)-1,3-dihydroindol-2-one
PubChem CID43338590
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name5-(3-methoxy-4-methylbenzoyl)-1,3-dihydroindol-2-one
SMILESCOc1cc(C(=O)c2ccc3c(c2)CC(=O)N3)ccc1C
InChIInChI=1S/C17H15NO3/c1-10-3-4-12(8-15(10)21-2)17(20)11-5-6-14-13(7-11)9-16(19)18-14/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyCHGUDDAHRICJGJ-UHFFFAOYSA-N
XLogP2.73
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-methylbenzoyl)-1,3-dihydroindol-2-one
CID 43160618
5-(4-ethylbenzoyl)-1,3-dihydroindol-2-one
CID 43338587
5-(2,3-dimethylbenzoyl)-1,3-dihydroindol-2-one
CID 43160594
5-(3-bromo-5-methylbenzoyl)-1,3-dihydroindol-2-one
CID 104850942
5-(4-bromo-2-methylbenzoyl)-1,3-dihydroindol-2-one
CID 43629644
5-(3-methylthiophene-2-carbonyl)-1,3-dihydroindol-2-one
CID 43462953
5-(3,5-difluorobenzoyl)-1,3-dihydroindol-2-one
CID 43338600
5-(1H-pyrazole-4-carbonyl)-1,3-dihydroindol-2-one
CID 114988363
5-(5-bromo-4-methylthiophene-2-carbonyl)-1,3-dihydroindol-2-one
CID 79981848
N-[3-(2-oxo-1,3-dihydroindole-5-carbonyl)phenyl]acetamide
CID 68698490
5-(2,2-dimethylpropanoyl)-1,3-dihydroindol-2-one
CID 43160600
5-(2,3-dihydro-1-benzofuran-5-carbonyl)-1,3-dihydroindol-2-one
CID 62198656

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxy-4-methylbenzoyl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-(3-methoxy-4-methylbenzoyl)-1,3-dihydroindol-2-one (CID 43338590) is 5-(3-methoxy-4-methylbenzoyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(3-methoxy-4-methylbenzoyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(3-methoxy-4-methylbenzoyl)-1,3-dihydroindol-2-one is COc1cc(C(=O)c2ccc3c(c2)CC(=O)N3)ccc1C.
What is the InChIKey of 5-(3-methoxy-4-methylbenzoyl)-1,3-dihydroindol-2-one?
The InChIKey is CHGUDDAHRICJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-10-3-4-12(8-15(10)21-2)17(20)11-5-6-14-13(7-11)9-16(19)18-14/h3-8H,9H2,1-2H3,(H,18,19).
What are the key properties of 5-(3-methoxy-4-methylbenzoyl)-1,3-dihydroindol-2-one?
5-(3-methoxy-4-methylbenzoyl)-1,3-dihydroindol-2-one has a molecular weight of 281.31 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxy-4-methylbenzoyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43338590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).