3-hydroxy-2-methyl-3-(phenoxymethyl)isoindol-1-one

C16H15NO3 — CID 86053529

IUPAC3-hydroxy-2-methyl-3-(phenoxymethyl)isoindol-1-one
SMILESCN1C(=O)c2ccccc2C1(O)COc1ccccc1
InChIInChI=1S/C16H15NO3/c1-17-15(18)13-9-5-6-10-14(13)16(17,19)11-20-12-7-3-2-4-8-12/h2-10,19H,11H2,1H3
InChIKeyWWVYXZLQFHIRMW-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.00
Rot. Bonds3

About 3-hydroxy-2-methyl-3-(phenoxymethyl)isoindol-1-one

3-hydroxy-2-methyl-3-(phenoxymethyl)isoindol-1-one (PubChem CID 86053529) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 3-hydroxy-2-methyl-3-(phenoxymethyl)isoindol-1-one.

Molecular Properties

Compound Name3-hydroxy-2-methyl-3-(phenoxymethyl)isoindol-1-one
PubChem CID86053529
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name3-hydroxy-2-methyl-3-(phenoxymethyl)isoindol-1-one
SMILESCN1C(=O)c2ccccc2C1(O)COc1ccccc1
InChIInChI=1S/C16H15NO3/c1-17-15(18)13-9-5-6-10-14(13)16(17,19)11-20-12-7-3-2-4-8-12/h2-10,19H,11H2,1H3
InChIKeyWWVYXZLQFHIRMW-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methyl-3-(phenoxymethyl)isoindol-1-one?
The IUPAC name of 3-hydroxy-2-methyl-3-(phenoxymethyl)isoindol-1-one (CID 86053529) is 3-hydroxy-2-methyl-3-(phenoxymethyl)isoindol-1-one.
What is the SMILES notation for 3-hydroxy-2-methyl-3-(phenoxymethyl)isoindol-1-one?
The canonical SMILES for 3-hydroxy-2-methyl-3-(phenoxymethyl)isoindol-1-one is CN1C(=O)c2ccccc2C1(O)COc1ccccc1.
What is the InChIKey of 3-hydroxy-2-methyl-3-(phenoxymethyl)isoindol-1-one?
The InChIKey is WWVYXZLQFHIRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-17-15(18)13-9-5-6-10-14(13)16(17,19)11-20-12-7-3-2-4-8-12/h2-10,19H,11H2,1H3.
What are the key properties of 3-hydroxy-2-methyl-3-(phenoxymethyl)isoindol-1-one?
3-hydroxy-2-methyl-3-(phenoxymethyl)isoindol-1-one has a molecular weight of 269.30 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methyl-3-(phenoxymethyl)isoindol-1-one is sourced from PubChem (CID 86053529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).