2-(4-ethoxyphenyl)-3-hydroxy-3H-isoindol-1-one

C16H15NO3 — CID 5309890

IUPAC2-(4-ethoxyphenyl)-3-hydroxy-3H-isoindol-1-one
SMILESCCOc1ccc(N2C(=O)c3ccccc3C2O)cc1
InChIInChI=1S/C16H15NO3/c1-2-20-12-9-7-11(8-10-12)17-15(18)13-5-3-4-6-14(13)16(17)19/h3-10,15,18H,2H2,1H3
InChIKeyHWRWSDYSDPKSHK-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.74
Rot. Bonds3

About 2-(4-ethoxyphenyl)-3-hydroxy-3H-isoindol-1-one

2-(4-ethoxyphenyl)-3-hydroxy-3H-isoindol-1-one (PubChem CID 5309890) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-3-hydroxy-3H-isoindol-1-one.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-3-hydroxy-3H-isoindol-1-one
PubChem CID5309890
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name2-(4-ethoxyphenyl)-3-hydroxy-3H-isoindol-1-one
SMILESCCOc1ccc(N2C(=O)c3ccccc3C2O)cc1
InChIInChI=1S/C16H15NO3/c1-2-20-12-9-7-11(8-10-12)17-15(18)13-5-3-4-6-14(13)16(17)19/h3-10,15,18H,2H2,1H3
InChIKeyHWRWSDYSDPKSHK-UHFFFAOYSA-N
XLogP2.74
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-3-hydroxy-3H-isoindol-1-one?
The IUPAC name of 2-(4-ethoxyphenyl)-3-hydroxy-3H-isoindol-1-one (CID 5309890) is 2-(4-ethoxyphenyl)-3-hydroxy-3H-isoindol-1-one.
What is the SMILES notation for 2-(4-ethoxyphenyl)-3-hydroxy-3H-isoindol-1-one?
The canonical SMILES for 2-(4-ethoxyphenyl)-3-hydroxy-3H-isoindol-1-one is CCOc1ccc(N2C(=O)c3ccccc3C2O)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-3-hydroxy-3H-isoindol-1-one?
The InChIKey is HWRWSDYSDPKSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-2-20-12-9-7-11(8-10-12)17-15(18)13-5-3-4-6-14(13)16(17)19/h3-10,15,18H,2H2,1H3.
What are the key properties of 2-(4-ethoxyphenyl)-3-hydroxy-3H-isoindol-1-one?
2-(4-ethoxyphenyl)-3-hydroxy-3H-isoindol-1-one has a molecular weight of 269.30 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-3-hydroxy-3H-isoindol-1-one is sourced from PubChem (CID 5309890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).