2-(4-methoxyphenyl)-1-methylisoindole

C16H15NO — CID 14288922

IUPAC2-(4-methoxyphenyl)-1-methylisoindole
SMILESCOc1ccc(-n2cc3ccccc3c2C)cc1
InChIInChI=1S/C16H15NO/c1-12-16-6-4-3-5-13(16)11-17(12)14-7-9-15(18-2)10-8-14/h3-11H,1-2H3
InChIKeyGDTMMPGRYMDGJD-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.95
Rot. Bonds2

About 2-(4-methoxyphenyl)-1-methylisoindole

2-(4-methoxyphenyl)-1-methylisoindole (PubChem CID 14288922) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-methylisoindole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-methylisoindole
PubChem CID14288922
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name2-(4-methoxyphenyl)-1-methylisoindole
SMILESCOc1ccc(-n2cc3ccccc3c2C)cc1
InChIInChI=1S/C16H15NO/c1-12-16-6-4-3-5-13(16)11-17(12)14-7-9-15(18-2)10-8-14/h3-11H,1-2H3
InChIKeyGDTMMPGRYMDGJD-UHFFFAOYSA-N
XLogP3.95
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-methylisoindole?
The IUPAC name of 2-(4-methoxyphenyl)-1-methylisoindole (CID 14288922) is 2-(4-methoxyphenyl)-1-methylisoindole.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-methylisoindole?
The canonical SMILES for 2-(4-methoxyphenyl)-1-methylisoindole is COc1ccc(-n2cc3ccccc3c2C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-methylisoindole?
The InChIKey is GDTMMPGRYMDGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c1-12-16-6-4-3-5-13(16)11-17(12)14-7-9-15(18-2)10-8-14/h3-11H,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-1-methylisoindole?
2-(4-methoxyphenyl)-1-methylisoindole has a molecular weight of 237.30 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-methylisoindole is sourced from PubChem (CID 14288922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).