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

C16H15NO2 — CID 3814650

IUPAC2-(2-hydroxy-1-phenylethyl)-3H-isoindol-1-one
SMILESO=C1c2ccccc2CN1C(CO)c1ccccc1
InChIInChI=1S/C16H15NO2/c18-11-15(12-6-2-1-3-7-12)17-10-13-8-4-5-9-14(13)16(17)19/h1-9,15,18H,10-11H2
InChIKeyBRHIHBMXXRPRCQ-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.38
Rot. Bonds3

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

2-(2-hydroxy-1-phenylethyl)-3H-isoindol-1-one (PubChem CID 3814650) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-(2-hydroxy-1-phenylethyl)-3H-isoindol-1-one.

Molecular Properties

Compound Name2-(2-hydroxy-1-phenylethyl)-3H-isoindol-1-one
PubChem CID3814650
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name2-(2-hydroxy-1-phenylethyl)-3H-isoindol-1-one
SMILESO=C1c2ccccc2CN1C(CO)c1ccccc1
InChIInChI=1S/C16H15NO2/c18-11-15(12-6-2-1-3-7-12)17-10-13-8-4-5-9-14(13)16(17)19/h1-9,15,18H,10-11H2
InChIKeyBRHIHBMXXRPRCQ-UHFFFAOYSA-N
XLogP2.38
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-1-phenylethyl)-3H-isoindol-1-one?
The IUPAC name of 2-(2-hydroxy-1-phenylethyl)-3H-isoindol-1-one (CID 3814650) is 2-(2-hydroxy-1-phenylethyl)-3H-isoindol-1-one.
What is the SMILES notation for 2-(2-hydroxy-1-phenylethyl)-3H-isoindol-1-one?
The canonical SMILES for 2-(2-hydroxy-1-phenylethyl)-3H-isoindol-1-one is O=C1c2ccccc2CN1C(CO)c1ccccc1.
What is the InChIKey of 2-(2-hydroxy-1-phenylethyl)-3H-isoindol-1-one?
The InChIKey is BRHIHBMXXRPRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c18-11-15(12-6-2-1-3-7-12)17-10-13-8-4-5-9-14(13)16(17)19/h1-9,15,18H,10-11H2.
What are the key properties of 2-(2-hydroxy-1-phenylethyl)-3H-isoindol-1-one?
2-(2-hydroxy-1-phenylethyl)-3H-isoindol-1-one has a molecular weight of 253.30 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-1-phenylethyl)-3H-isoindol-1-one is sourced from PubChem (CID 3814650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).