3-hydroxy-2-(2-phenylethoxy)-3H-isoindol-1-one

C16H15NO3 — CID 137496403

IUPAC3-hydroxy-2-(2-phenylethoxy)-3H-isoindol-1-one
SMILESO=C1c2ccccc2C(O)N1OCCc1ccccc1
InChIInChI=1S/C16H15NO3/c18-15-13-8-4-5-9-14(13)16(19)17(15)20-11-10-12-6-2-1-3-7-12/h1-9,15,18H,10-11H2
InChIKeyMDKHIVPFJXEAMC-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.31
Rot. Bonds4

About 3-hydroxy-2-(2-phenylethoxy)-3H-isoindol-1-one

3-hydroxy-2-(2-phenylethoxy)-3H-isoindol-1-one (PubChem CID 137496403) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 3-hydroxy-2-(2-phenylethoxy)-3H-isoindol-1-one.

Molecular Properties

Compound Name3-hydroxy-2-(2-phenylethoxy)-3H-isoindol-1-one
PubChem CID137496403
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name3-hydroxy-2-(2-phenylethoxy)-3H-isoindol-1-one
SMILESO=C1c2ccccc2C(O)N1OCCc1ccccc1
InChIInChI=1S/C16H15NO3/c18-15-13-8-4-5-9-14(13)16(19)17(15)20-11-10-12-6-2-1-3-7-12/h1-9,15,18H,10-11H2
InChIKeyMDKHIVPFJXEAMC-UHFFFAOYSA-N
XLogP2.31
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(2-phenylethoxy)-3H-isoindol-1-one?
The IUPAC name of 3-hydroxy-2-(2-phenylethoxy)-3H-isoindol-1-one (CID 137496403) is 3-hydroxy-2-(2-phenylethoxy)-3H-isoindol-1-one.
What is the SMILES notation for 3-hydroxy-2-(2-phenylethoxy)-3H-isoindol-1-one?
The canonical SMILES for 3-hydroxy-2-(2-phenylethoxy)-3H-isoindol-1-one is O=C1c2ccccc2C(O)N1OCCc1ccccc1.
What is the InChIKey of 3-hydroxy-2-(2-phenylethoxy)-3H-isoindol-1-one?
The InChIKey is MDKHIVPFJXEAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c18-15-13-8-4-5-9-14(13)16(19)17(15)20-11-10-12-6-2-1-3-7-12/h1-9,15,18H,10-11H2.
What are the key properties of 3-hydroxy-2-(2-phenylethoxy)-3H-isoindol-1-one?
3-hydroxy-2-(2-phenylethoxy)-3H-isoindol-1-one has a molecular weight of 269.30 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(2-phenylethoxy)-3H-isoindol-1-one is sourced from PubChem (CID 137496403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).