1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-6,7-dihydro-5H-indol-4-one

C18H21NO3 — CID 10804095

IUPAC1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-6,7-dihydro-5H-indol-4-one
SMILESCOc1ccc(Cn2c(C)cc3c2CCCC3=O)cc1OC
InChIInChI=1S/C18H21NO3/c1-12-9-14-15(5-4-6-16(14)20)19(12)11-13-7-8-17(21-2)18(10-13)22-3/h7-10H,4-6,11H2,1-3H3
InChIKeyKDYQEQUIOYUTCY-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.38
Rot. Bonds4

About 1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-6,7-dihydro-5H-indol-4-one

1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-6,7-dihydro-5H-indol-4-one (PubChem CID 10804095) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-6,7-dihydro-5H-indol-4-one.

Molecular Properties

Compound Name1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-6,7-dihydro-5H-indol-4-one
PubChem CID10804095
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-6,7-dihydro-5H-indol-4-one
SMILESCOc1ccc(Cn2c(C)cc3c2CCCC3=O)cc1OC
InChIInChI=1S/C18H21NO3/c1-12-9-14-15(5-4-6-16(14)20)19(12)11-13-7-8-17(21-2)18(10-13)22-3/h7-10H,4-6,11H2,1-3H3
InChIKeyKDYQEQUIOYUTCY-UHFFFAOYSA-N
XLogP3.38
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-6,7-dihydro-5H-indol-4-one?
The IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-6,7-dihydro-5H-indol-4-one (CID 10804095) is 1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-6,7-dihydro-5H-indol-4-one.
What is the SMILES notation for 1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-6,7-dihydro-5H-indol-4-one?
The canonical SMILES for 1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-6,7-dihydro-5H-indol-4-one is COc1ccc(Cn2c(C)cc3c2CCCC3=O)cc1OC.
What is the InChIKey of 1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-6,7-dihydro-5H-indol-4-one?
The InChIKey is KDYQEQUIOYUTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-12-9-14-15(5-4-6-16(14)20)19(12)11-13-7-8-17(21-2)18(10-13)22-3/h7-10H,4-6,11H2,1-3H3.
What are the key properties of 1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-6,7-dihydro-5H-indol-4-one?
1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-6,7-dihydro-5H-indol-4-one has a molecular weight of 299.37 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-6,7-dihydro-5H-indol-4-one is sourced from PubChem (CID 10804095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).