1-[(4-methylphenyl)methyl]-3H-indol-2-one

C16H15NO — CID 82083873

IUPAC1-[(4-methylphenyl)methyl]-3H-indol-2-one
SMILESCc1ccc(CN2C(=O)Cc3ccccc32)cc1
InChIInChI=1S/C16H15NO/c1-12-6-8-13(9-7-12)11-17-15-5-3-2-4-14(15)10-16(17)18/h2-9H,10-11H2,1H3
InChIKeyACBFLLHVIXSWNE-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.08
Rot. Bonds2

About 1-[(4-methylphenyl)methyl]-3H-indol-2-one

1-[(4-methylphenyl)methyl]-3H-indol-2-one (PubChem CID 82083873) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-3H-indol-2-one.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-3H-indol-2-one
PubChem CID82083873
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name1-[(4-methylphenyl)methyl]-3H-indol-2-one
SMILESCc1ccc(CN2C(=O)Cc3ccccc32)cc1
InChIInChI=1S/C16H15NO/c1-12-6-8-13(9-7-12)11-17-15-5-3-2-4-14(15)10-16(17)18/h2-9H,10-11H2,1H3
InChIKeyACBFLLHVIXSWNE-UHFFFAOYSA-N
XLogP3.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(4-propan-2-ylphenyl)methyl]-3H-indol-2-one
CID 82091764
1-(4-methylphenyl)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]methanesulfonamide
CID 110730104
1-[(3-amino-4-chlorophenyl)methyl]-3H-indol-2-one
CID 43349881
4-[(4-methylphenyl)methyl]-1,4-benzothiazin-3-one
CID 774117
1-[(3-amino-4-methoxyphenyl)methyl]-3H-indol-2-one
CID 29037776
1-[(4-chloro-3-nitrophenyl)methyl]-3H-indol-2-one
CID 43350321
1-[[3-(trifluoromethyl)phenyl]methyl]-3H-indol-2-one
CID 141283536
3-[(2-oxo-3H-indol-1-yl)methyl]benzenediazonium
CID 174756583
1-(pyridin-2-ylmethyl)-3H-indol-2-one
CID 90893291
1-benzyl-7-methyl-3H-indol-2-one
CID 100995763
1-(2-hydroxyethyl)-3H-indol-2-one
CID 18624228
1-(2-sulfanylethyl)-3H-indol-2-one
CID 117030099

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-3H-indol-2-one?
The IUPAC name of 1-[(4-methylphenyl)methyl]-3H-indol-2-one (CID 82083873) is 1-[(4-methylphenyl)methyl]-3H-indol-2-one.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-3H-indol-2-one?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-3H-indol-2-one is Cc1ccc(CN2C(=O)Cc3ccccc32)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-3H-indol-2-one?
The InChIKey is ACBFLLHVIXSWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c1-12-6-8-13(9-7-12)11-17-15-5-3-2-4-14(15)10-16(17)18/h2-9H,10-11H2,1H3.
What are the key properties of 1-[(4-methylphenyl)methyl]-3H-indol-2-one?
1-[(4-methylphenyl)methyl]-3H-indol-2-one has a molecular weight of 237.30 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-3H-indol-2-one is sourced from PubChem (CID 82083873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).