1-[(4-methoxyphenyl)methyl]-7-methyl-3H-indol-2-one

C17H17NO2 — CID 102315003

IUPAC1-[(4-methoxyphenyl)methyl]-7-methyl-3H-indol-2-one
SMILESCOc1ccc(CN2C(=O)Cc3cccc(C)c32)cc1
InChIInChI=1S/C17H17NO2/c1-12-4-3-5-14-10-16(19)18(17(12)14)11-13-6-8-15(20-2)9-7-13/h3-9H,10-11H2,1-2H3
InChIKeyONTGLQUOOFXIHY-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.09
Rot. Bonds3

About 1-[(4-methoxyphenyl)methyl]-7-methyl-3H-indol-2-one

1-[(4-methoxyphenyl)methyl]-7-methyl-3H-indol-2-one (PubChem CID 102315003) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-7-methyl-3H-indol-2-one.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-7-methyl-3H-indol-2-one
PubChem CID102315003
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name1-[(4-methoxyphenyl)methyl]-7-methyl-3H-indol-2-one
SMILESCOc1ccc(CN2C(=O)Cc3cccc(C)c32)cc1
InChIInChI=1S/C17H17NO2/c1-12-4-3-5-14-10-16(19)18(17(12)14)11-13-6-8-15(20-2)9-7-13/h3-9H,10-11H2,1-2H3
InChIKeyONTGLQUOOFXIHY-UHFFFAOYSA-N
XLogP3.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-7-methyl-3H-indol-2-one
CID 100995763
7-methyl-1-(2-methylpropyl)-3H-indol-2-one
CID 91178999
1-(2,6-dichlorophenyl)-6-[(4-methoxyphenyl)methyl]-8H-1,6-naphthyridine-2,5,7-trione
CID 11690802
methyl 1-[(4-methoxyphenyl)methyl]-5-methyl-2-oxo-3H-pyrrole-4-carboxylate
CID 754863
(3S)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-7-methyl-3-(2-oxopropyl)indol-2-one
CID 51921804
5-(4-chlorophenoxy)-1-[(4-methoxyphenyl)methyl]-3H-indol-2-one
CID 142720889
1-[(4-methylphenyl)methyl]-3H-indol-2-one
CID 82083873
4-[(4-methoxyphenyl)methyl]-1,4-benzoxazin-3-one
CID 1431724
1-[(4-methoxyphenyl)methyl]-4,6-dihydro-3H-[1,4]diazepino[6,5-b]indole-2,5-dione
CID 118141567
(4S)-1-[(4-methoxyphenyl)methyl]-6,8-dimethyl-4-propan-2-yl-3,4-dihydroquinolin-2-one
CID 102523412
3,4-dibromo-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione
CID 10761993
1-[(4-methoxyphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 3345025

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-7-methyl-3H-indol-2-one?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-7-methyl-3H-indol-2-one (CID 102315003) is 1-[(4-methoxyphenyl)methyl]-7-methyl-3H-indol-2-one.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-7-methyl-3H-indol-2-one?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-7-methyl-3H-indol-2-one is COc1ccc(CN2C(=O)Cc3cccc(C)c32)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-7-methyl-3H-indol-2-one?
The InChIKey is ONTGLQUOOFXIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-12-4-3-5-14-10-16(19)18(17(12)14)11-13-6-8-15(20-2)9-7-13/h3-9H,10-11H2,1-2H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-7-methyl-3H-indol-2-one?
1-[(4-methoxyphenyl)methyl]-7-methyl-3H-indol-2-one has a molecular weight of 267.33 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-7-methyl-3H-indol-2-one is sourced from PubChem (CID 102315003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).