7-(4-methoxyphenyl)-3-phenylisoindol-1-one

C21H15NO2 — CID 141211329

IUPAC7-(4-methoxyphenyl)-3-phenylisoindol-1-one
SMILESCOc1ccc(-c2cccc3c2C(=O)N=C3c2ccccc2)cc1
InChIInChI=1S/C21H15NO2/c1-24-16-12-10-14(11-13-16)17-8-5-9-18-19(17)21(23)22-20(18)15-6-3-2-4-7-15/h2-13H,1H3
InChIKeyBAMZVJQIKXJLAC-UHFFFAOYSA-N
MW313.36 g/mol
LogP4.35
Rot. Bonds3

About 7-(4-methoxyphenyl)-3-phenylisoindol-1-one

7-(4-methoxyphenyl)-3-phenylisoindol-1-one (PubChem CID 141211329) has the molecular formula C21H15NO2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 7-(4-methoxyphenyl)-3-phenylisoindol-1-one.

Molecular Properties

Compound Name7-(4-methoxyphenyl)-3-phenylisoindol-1-one
PubChem CID141211329
Molecular FormulaC21H15NO2
Molecular Weight313.36 g/mol
Exact Mass313.11
IUPAC Name7-(4-methoxyphenyl)-3-phenylisoindol-1-one
SMILESCOc1ccc(-c2cccc3c2C(=O)N=C3c2ccccc2)cc1
InChIInChI=1S/C21H15NO2/c1-24-16-12-10-14(11-13-16)17-8-5-9-18-19(17)21(23)22-20(18)15-6-3-2-4-7-15/h2-13H,1H3
InChIKeyBAMZVJQIKXJLAC-UHFFFAOYSA-N
XLogP4.35
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-(4-methoxyphenyl)-3-phenylisoindol-1-one with MolForge

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

Launch Full Analysis

Related Compounds

1-(4-chlorophenyl)-2-(4-methoxyphenyl)-3-phenylbenzene
CID 173189759
3-(4-methoxyphenyl)-4-phenyl-1H-pyridazin-6-one
CID 18759983
1-[4-(4-methoxyphenyl)phenyl]-2,4,6-triphenyl-3,5-bis(4-phenylphenyl)benzene
CID 138981847
1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene
CID 176774050
2-(4-methoxyphenyl)-1,4-diphenylbenzene
CID 132547745
1-ethyl-2,3-bis(4-methoxyphenyl)benzene
CID 54211857
2-methoxy-7-(2-phenylphenyl)naphthalene
CID 141340555
1,2,3-trimethoxy-5-[2-phenyl-6-(3,4,5-trimethoxyphenyl)phenyl]benzene
CID 174734654
1-(4-methoxyphenyl)-5-(4-methylphenyl)naphthalene
CID 142669243
methane;1-methoxy-4-methylbenzene;1-methyl-4-phenylbenzene
CID 160612603
6-(4-methoxyphenyl)-2-methyl-5-phenylpyridazin-3-one
CID 59651906
1-methoxy-4-phenylbenzene;methyloxidanium
CID 144616924

Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxyphenyl)-3-phenylisoindol-1-one?
The IUPAC name of 7-(4-methoxyphenyl)-3-phenylisoindol-1-one (CID 141211329) is 7-(4-methoxyphenyl)-3-phenylisoindol-1-one.
What is the SMILES notation for 7-(4-methoxyphenyl)-3-phenylisoindol-1-one?
The canonical SMILES for 7-(4-methoxyphenyl)-3-phenylisoindol-1-one is COc1ccc(-c2cccc3c2C(=O)N=C3c2ccccc2)cc1.
What is the InChIKey of 7-(4-methoxyphenyl)-3-phenylisoindol-1-one?
The InChIKey is BAMZVJQIKXJLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO2/c1-24-16-12-10-14(11-13-16)17-8-5-9-18-19(17)21(23)22-20(18)15-6-3-2-4-7-15/h2-13H,1H3.
What are the key properties of 7-(4-methoxyphenyl)-3-phenylisoindol-1-one?
7-(4-methoxyphenyl)-3-phenylisoindol-1-one has a molecular weight of 313.36 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxyphenyl)-3-phenylisoindol-1-one is sourced from PubChem (CID 141211329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).