2-[(3-hydroxyphenyl)methyl]isoindole-1,3-dione

C15H11NO3 — CID 1235474

IUPAC2-[(3-hydroxyphenyl)methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1cccc(O)c1
InChIInChI=1S/C15H11NO3/c17-11-5-3-4-10(8-11)9-16-14(18)12-6-1-2-7-13(12)15(16)19/h1-8,17H,9H2
InChIKeyCWIXXTDWIFGBAC-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.19
Rot. Bonds2

About 2-[(3-hydroxyphenyl)methyl]isoindole-1,3-dione

2-[(3-hydroxyphenyl)methyl]isoindole-1,3-dione (PubChem CID 1235474) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-[(3-hydroxyphenyl)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(3-hydroxyphenyl)methyl]isoindole-1,3-dione
PubChem CID1235474
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name2-[(3-hydroxyphenyl)methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1cccc(O)c1
InChIInChI=1S/C15H11NO3/c17-11-5-3-4-10(8-11)9-16-14(18)12-6-1-2-7-13(12)15(16)19/h1-8,17H,9H2
InChIKeyCWIXXTDWIFGBAC-UHFFFAOYSA-N
XLogP2.19
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(3-hydroxyphenyl)methyl]isoindole-1,3-dione?
The IUPAC name of 2-[(3-hydroxyphenyl)methyl]isoindole-1,3-dione (CID 1235474) is 2-[(3-hydroxyphenyl)methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(3-hydroxyphenyl)methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(3-hydroxyphenyl)methyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1Cc1cccc(O)c1.
What is the InChIKey of 2-[(3-hydroxyphenyl)methyl]isoindole-1,3-dione?
The InChIKey is CWIXXTDWIFGBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3/c17-11-5-3-4-10(8-11)9-16-14(18)12-6-1-2-7-13(12)15(16)19/h1-8,17H,9H2.
What are the key properties of 2-[(3-hydroxyphenyl)methyl]isoindole-1,3-dione?
2-[(3-hydroxyphenyl)methyl]isoindole-1,3-dione has a molecular weight of 253.26 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxyphenyl)methyl]isoindole-1,3-dione is sourced from PubChem (CID 1235474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).