3-hydroxy-2-(2-prop-1-en-2-ylphenyl)-3H-isoindol-1-one

C17H15NO2 — CID 10491926

IUPAC3-hydroxy-2-(2-prop-1-en-2-ylphenyl)-3H-isoindol-1-one
SMILESC=C(C)c1ccccc1N1C(=O)c2ccccc2C1O
InChIInChI=1S/C17H15NO2/c1-11(2)12-7-5-6-10-15(12)18-16(19)13-8-3-4-9-14(13)17(18)20/h3-10,16,19H,1H2,2H3
InChIKeyVOUMQYYWCKFWJO-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.37
Rot. Bonds2

About 3-hydroxy-2-(2-prop-1-en-2-ylphenyl)-3H-isoindol-1-one

3-hydroxy-2-(2-prop-1-en-2-ylphenyl)-3H-isoindol-1-one (PubChem CID 10491926) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-hydroxy-2-(2-prop-1-en-2-ylphenyl)-3H-isoindol-1-one.

Molecular Properties

Compound Name3-hydroxy-2-(2-prop-1-en-2-ylphenyl)-3H-isoindol-1-one
PubChem CID10491926
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name3-hydroxy-2-(2-prop-1-en-2-ylphenyl)-3H-isoindol-1-one
SMILESC=C(C)c1ccccc1N1C(=O)c2ccccc2C1O
InChIInChI=1S/C17H15NO2/c1-11(2)12-7-5-6-10-15(12)18-16(19)13-8-3-4-9-14(13)17(18)20/h3-10,16,19H,1H2,2H3
InChIKeyVOUMQYYWCKFWJO-UHFFFAOYSA-N
XLogP3.37
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(2-prop-1-en-2-ylphenyl)-3H-isoindol-1-one?
The IUPAC name of 3-hydroxy-2-(2-prop-1-en-2-ylphenyl)-3H-isoindol-1-one (CID 10491926) is 3-hydroxy-2-(2-prop-1-en-2-ylphenyl)-3H-isoindol-1-one.
What is the SMILES notation for 3-hydroxy-2-(2-prop-1-en-2-ylphenyl)-3H-isoindol-1-one?
The canonical SMILES for 3-hydroxy-2-(2-prop-1-en-2-ylphenyl)-3H-isoindol-1-one is C=C(C)c1ccccc1N1C(=O)c2ccccc2C1O.
What is the InChIKey of 3-hydroxy-2-(2-prop-1-en-2-ylphenyl)-3H-isoindol-1-one?
The InChIKey is VOUMQYYWCKFWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-11(2)12-7-5-6-10-15(12)18-16(19)13-8-3-4-9-14(13)17(18)20/h3-10,16,19H,1H2,2H3.
What are the key properties of 3-hydroxy-2-(2-prop-1-en-2-ylphenyl)-3H-isoindol-1-one?
3-hydroxy-2-(2-prop-1-en-2-ylphenyl)-3H-isoindol-1-one has a molecular weight of 265.31 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(2-prop-1-en-2-ylphenyl)-3H-isoindol-1-one is sourced from PubChem (CID 10491926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).