1-(2-hydroxyphenyl)-3-methyl-2,5,6,7-tetrahydroisoindol-4-one

C15H15NO2 — CID 71811996

IUPAC1-(2-hydroxyphenyl)-3-methyl-2,5,6,7-tetrahydroisoindol-4-one
SMILESCc1[nH]c(-c2ccccc2O)c2c1C(=O)CCC2
InChIInChI=1S/C15H15NO2/c1-9-14-11(6-4-8-13(14)18)15(16-9)10-5-2-3-7-12(10)17/h2-3,5,7,16-17H,4,6,8H2,1H3
InChIKeyATNQVJPFWABKDU-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.21
Rot. Bonds1

About 1-(2-hydroxyphenyl)-3-methyl-2,5,6,7-tetrahydroisoindol-4-one

1-(2-hydroxyphenyl)-3-methyl-2,5,6,7-tetrahydroisoindol-4-one (PubChem CID 71811996) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-(2-hydroxyphenyl)-3-methyl-2,5,6,7-tetrahydroisoindol-4-one.

Molecular Properties

Compound Name1-(2-hydroxyphenyl)-3-methyl-2,5,6,7-tetrahydroisoindol-4-one
PubChem CID71811996
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name1-(2-hydroxyphenyl)-3-methyl-2,5,6,7-tetrahydroisoindol-4-one
SMILESCc1[nH]c(-c2ccccc2O)c2c1C(=O)CCC2
InChIInChI=1S/C15H15NO2/c1-9-14-11(6-4-8-13(14)18)15(16-9)10-5-2-3-7-12(10)17/h2-3,5,7,16-17H,4,6,8H2,1H3
InChIKeyATNQVJPFWABKDU-UHFFFAOYSA-N
XLogP3.21
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(2-hydroxyphenyl)-3-methyl-2,5,6,7-tetrahydroisoindol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyphenyl)-3-methyl-2,5,6,7-tetrahydroisoindol-4-one?
The IUPAC name of 1-(2-hydroxyphenyl)-3-methyl-2,5,6,7-tetrahydroisoindol-4-one (CID 71811996) is 1-(2-hydroxyphenyl)-3-methyl-2,5,6,7-tetrahydroisoindol-4-one.
What is the SMILES notation for 1-(2-hydroxyphenyl)-3-methyl-2,5,6,7-tetrahydroisoindol-4-one?
The canonical SMILES for 1-(2-hydroxyphenyl)-3-methyl-2,5,6,7-tetrahydroisoindol-4-one is Cc1[nH]c(-c2ccccc2O)c2c1C(=O)CCC2.
What is the InChIKey of 1-(2-hydroxyphenyl)-3-methyl-2,5,6,7-tetrahydroisoindol-4-one?
The InChIKey is ATNQVJPFWABKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-9-14-11(6-4-8-13(14)18)15(16-9)10-5-2-3-7-12(10)17/h2-3,5,7,16-17H,4,6,8H2,1H3.
What are the key properties of 1-(2-hydroxyphenyl)-3-methyl-2,5,6,7-tetrahydroisoindol-4-one?
1-(2-hydroxyphenyl)-3-methyl-2,5,6,7-tetrahydroisoindol-4-one has a molecular weight of 241.29 g/mol, XLogP of 3.21, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyphenyl)-3-methyl-2,5,6,7-tetrahydroisoindol-4-one is sourced from PubChem (CID 71811996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).