2-(4-hydroxyphenyl)-5-(2-methoxyphenoxy)isoindole-1,3-dione

C21H15NO5 — CID 661368

IUPAC2-(4-hydroxyphenyl)-5-(2-methoxyphenoxy)isoindole-1,3-dione
SMILESCOc1ccccc1Oc1ccc2c(c1)C(=O)N(c1ccc(O)cc1)C2=O
InChIInChI=1S/C21H15NO5/c1-26-18-4-2-3-5-19(18)27-15-10-11-16-17(12-15)21(25)22(20(16)24)13-6-8-14(23)9-7-13/h2-12,23H,1H3
InChIKeyJFIYRVDCLVDJCP-UHFFFAOYSA-N
MW361.35 g/mol
LogP3.99
Rot. Bonds4

About 2-(4-hydroxyphenyl)-5-(2-methoxyphenoxy)isoindole-1,3-dione

2-(4-hydroxyphenyl)-5-(2-methoxyphenoxy)isoindole-1,3-dione (PubChem CID 661368) has the molecular formula C21H15NO5 and a molecular weight of 361.35 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-5-(2-methoxyphenoxy)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-5-(2-methoxyphenoxy)isoindole-1,3-dione
PubChem CID661368
Molecular FormulaC21H15NO5
Molecular Weight361.35 g/mol
Exact Mass361.10
IUPAC Name2-(4-hydroxyphenyl)-5-(2-methoxyphenoxy)isoindole-1,3-dione
SMILESCOc1ccccc1Oc1ccc2c(c1)C(=O)N(c1ccc(O)cc1)C2=O
InChIInChI=1S/C21H15NO5/c1-26-18-4-2-3-5-19(18)27-15-10-11-16-17(12-15)21(25)22(20(16)24)13-6-8-14(23)9-7-13/h2-12,23H,1H3
InChIKeyJFIYRVDCLVDJCP-UHFFFAOYSA-N
XLogP3.99
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-5-(2-methoxyphenoxy)isoindole-1,3-dione?
The IUPAC name of 2-(4-hydroxyphenyl)-5-(2-methoxyphenoxy)isoindole-1,3-dione (CID 661368) is 2-(4-hydroxyphenyl)-5-(2-methoxyphenoxy)isoindole-1,3-dione.
What is the SMILES notation for 2-(4-hydroxyphenyl)-5-(2-methoxyphenoxy)isoindole-1,3-dione?
The canonical SMILES for 2-(4-hydroxyphenyl)-5-(2-methoxyphenoxy)isoindole-1,3-dione is COc1ccccc1Oc1ccc2c(c1)C(=O)N(c1ccc(O)cc1)C2=O.
What is the InChIKey of 2-(4-hydroxyphenyl)-5-(2-methoxyphenoxy)isoindole-1,3-dione?
The InChIKey is JFIYRVDCLVDJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO5/c1-26-18-4-2-3-5-19(18)27-15-10-11-16-17(12-15)21(25)22(20(16)24)13-6-8-14(23)9-7-13/h2-12,23H,1H3.
What are the key properties of 2-(4-hydroxyphenyl)-5-(2-methoxyphenoxy)isoindole-1,3-dione?
2-(4-hydroxyphenyl)-5-(2-methoxyphenoxy)isoindole-1,3-dione has a molecular weight of 361.35 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-5-(2-methoxyphenoxy)isoindole-1,3-dione is sourced from PubChem (CID 661368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).