4-[1-(3-hydroxyphenyl)ethyl]isoindole-1,3-dione

C16H13NO3 — CID 22111154

IUPAC4-[1-(3-hydroxyphenyl)ethyl]isoindole-1,3-dione
SMILESCC(c1cccc(O)c1)c1cccc2c1C(=O)NC2=O
InChIInChI=1S/C16H13NO3/c1-9(10-4-2-5-11(18)8-10)12-6-3-7-13-14(12)16(20)17-15(13)19/h2-9,18H,1H3,(H,17,19,20)
InChIKeyUXIUXGHOHGGSAZ-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.43
Rot. Bonds2

About 4-[1-(3-hydroxyphenyl)ethyl]isoindole-1,3-dione

4-[1-(3-hydroxyphenyl)ethyl]isoindole-1,3-dione (PubChem CID 22111154) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is 4-[1-(3-hydroxyphenyl)ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name4-[1-(3-hydroxyphenyl)ethyl]isoindole-1,3-dione
PubChem CID22111154
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name4-[1-(3-hydroxyphenyl)ethyl]isoindole-1,3-dione
SMILESCC(c1cccc(O)c1)c1cccc2c1C(=O)NC2=O
InChIInChI=1S/C16H13NO3/c1-9(10-4-2-5-11(18)8-10)12-6-3-7-13-14(12)16(20)17-15(13)19/h2-9,18H,1H3,(H,17,19,20)
InChIKeyUXIUXGHOHGGSAZ-UHFFFAOYSA-N
XLogP2.43
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.43
H-Bond Donors ≤ 52
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 4-[1-(3-hydroxyphenyl)ethyl]isoindole-1,3-dione?
The IUPAC name of 4-[1-(3-hydroxyphenyl)ethyl]isoindole-1,3-dione (CID 22111154) is 4-[1-(3-hydroxyphenyl)ethyl]isoindole-1,3-dione.
What is the SMILES notation for 4-[1-(3-hydroxyphenyl)ethyl]isoindole-1,3-dione?
The canonical SMILES for 4-[1-(3-hydroxyphenyl)ethyl]isoindole-1,3-dione is CC(c1cccc(O)c1)c1cccc2c1C(=O)NC2=O.
What is the InChIKey of 4-[1-(3-hydroxyphenyl)ethyl]isoindole-1,3-dione?
The InChIKey is UXIUXGHOHGGSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c1-9(10-4-2-5-11(18)8-10)12-6-3-7-13-14(12)16(20)17-15(13)19/h2-9,18H,1H3,(H,17,19,20).
What are the key properties of 4-[1-(3-hydroxyphenyl)ethyl]isoindole-1,3-dione?
4-[1-(3-hydroxyphenyl)ethyl]isoindole-1,3-dione has a molecular weight of 267.28 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-hydroxyphenyl)ethyl]isoindole-1,3-dione is sourced from PubChem (CID 22111154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).