5,6-dimethyl-4-phenoxy-2-phenylisoindole-1,3-dione

C22H17NO3 — CID 171480868

IUPAC5,6-dimethyl-4-phenoxy-2-phenylisoindole-1,3-dione
SMILESCc1cc2c(c(Oc3ccccc3)c1C)C(=O)N(c1ccccc1)C2=O
InChIInChI=1S/C22H17NO3/c1-14-13-18-19(20(15(14)2)26-17-11-7-4-8-12-17)22(25)23(21(18)24)16-9-5-3-6-10-16/h3-13H,1-2H3
InChIKeyXIVQGZNHRQDOGO-UHFFFAOYSA-N
MW343.38 g/mol
LogP4.90
Rot. Bonds3

About 5,6-dimethyl-4-phenoxy-2-phenylisoindole-1,3-dione

5,6-dimethyl-4-phenoxy-2-phenylisoindole-1,3-dione (PubChem CID 171480868) has the molecular formula C22H17NO3 and a molecular weight of 343.38 g/mol. Its IUPAC name is 5,6-dimethyl-4-phenoxy-2-phenylisoindole-1,3-dione.

Molecular Properties

Compound Name5,6-dimethyl-4-phenoxy-2-phenylisoindole-1,3-dione
PubChem CID171480868
Molecular FormulaC22H17NO3
Molecular Weight343.38 g/mol
Exact Mass343.12
IUPAC Name5,6-dimethyl-4-phenoxy-2-phenylisoindole-1,3-dione
SMILESCc1cc2c(c(Oc3ccccc3)c1C)C(=O)N(c1ccccc1)C2=O
InChIInChI=1S/C22H17NO3/c1-14-13-18-19(20(15(14)2)26-17-11-7-4-8-12-17)22(25)23(21(18)24)16-9-5-3-6-10-16/h3-13H,1-2H3
InChIKeyXIVQGZNHRQDOGO-UHFFFAOYSA-N
XLogP4.90
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-methyl-2-phenylisoindole-1,3-dione
CID 12746962
2-(3-phenoxyphenyl)isoindole-1,3-dione
CID 3091542
2-(4-phenoxyphenyl)isoindole-1,3-dione
CID 765459
4,6-dihydroxy-5-methyl-2-phenylbenzo[de]isoquinoline-1,3-dione
CID 5409731
4-methoxy-1-methyl-7-phenylpyrrolo[3,4-g]indole-6,8-dione
CID 10924785
7,18-bis(4-methylphenyl)-11,14,22,26-tetraphenoxy-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone
CID 58049657
1,2,4-trimethyl-3,5-diphenoxybenzene
CID 141017491
7,18-bis(4-phenoxyphenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
CID 102222084
2-[4-(2,3-dimethylphenoxy)phenyl]isoindole-1,3-dione
CID 765583
5-(3,5-dimethylphenoxy)-2-phenylisoindole-1,3-dione
CID 925737
1-[(3,5-dimethylphenyl)methyl]-4-methyl-7-phenylpyrrolo[3,4-g]indole-6,8-dione
CID 102002840
4,5,6-trifluoro-2-phenylisoindole-1,3-dione
CID 54452538

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-4-phenoxy-2-phenylisoindole-1,3-dione?
The IUPAC name of 5,6-dimethyl-4-phenoxy-2-phenylisoindole-1,3-dione (CID 171480868) is 5,6-dimethyl-4-phenoxy-2-phenylisoindole-1,3-dione.
What is the SMILES notation for 5,6-dimethyl-4-phenoxy-2-phenylisoindole-1,3-dione?
The canonical SMILES for 5,6-dimethyl-4-phenoxy-2-phenylisoindole-1,3-dione is Cc1cc2c(c(Oc3ccccc3)c1C)C(=O)N(c1ccccc1)C2=O.
What is the InChIKey of 5,6-dimethyl-4-phenoxy-2-phenylisoindole-1,3-dione?
The InChIKey is XIVQGZNHRQDOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO3/c1-14-13-18-19(20(15(14)2)26-17-11-7-4-8-12-17)22(25)23(21(18)24)16-9-5-3-6-10-16/h3-13H,1-2H3.
What are the key properties of 5,6-dimethyl-4-phenoxy-2-phenylisoindole-1,3-dione?
5,6-dimethyl-4-phenoxy-2-phenylisoindole-1,3-dione has a molecular weight of 343.38 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-4-phenoxy-2-phenylisoindole-1,3-dione is sourced from PubChem (CID 171480868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).