6-hydroxy-3-methylidene-2-(4-methylphenyl)isoindol-1-one

C16H13NO2 — CID 102006043

IUPAC6-hydroxy-3-methylidene-2-(4-methylphenyl)isoindol-1-one
SMILESC=C1c2ccc(O)cc2C(=O)N1c1ccc(C)cc1
InChIInChI=1S/C16H13NO2/c1-10-3-5-12(6-4-10)17-11(2)14-8-7-13(18)9-15(14)16(17)19/h3-9,18H,2H2,1H3
InChIKeyCJSZEYNAPBQOOR-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.33
Rot. Bonds1

About 6-hydroxy-3-methylidene-2-(4-methylphenyl)isoindol-1-one

6-hydroxy-3-methylidene-2-(4-methylphenyl)isoindol-1-one (PubChem CID 102006043) has the molecular formula C16H13NO2 and a molecular weight of 251.28 g/mol. Its IUPAC name is 6-hydroxy-3-methylidene-2-(4-methylphenyl)isoindol-1-one.

Molecular Properties

Compound Name6-hydroxy-3-methylidene-2-(4-methylphenyl)isoindol-1-one
PubChem CID102006043
Molecular FormulaC16H13NO2
Molecular Weight251.28 g/mol
Exact Mass251.09
IUPAC Name6-hydroxy-3-methylidene-2-(4-methylphenyl)isoindol-1-one
SMILESC=C1c2ccc(O)cc2C(=O)N1c1ccc(C)cc1
InChIInChI=1S/C16H13NO2/c1-10-3-5-12(6-4-10)17-11(2)14-8-7-13(18)9-15(14)16(17)19/h3-9,18H,2H2,1H3
InChIKeyCJSZEYNAPBQOOR-UHFFFAOYSA-N
XLogP3.33
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3-methylidene-2-(4-methylphenyl)isoindol-1-one?
The IUPAC name of 6-hydroxy-3-methylidene-2-(4-methylphenyl)isoindol-1-one (CID 102006043) is 6-hydroxy-3-methylidene-2-(4-methylphenyl)isoindol-1-one.
What is the SMILES notation for 6-hydroxy-3-methylidene-2-(4-methylphenyl)isoindol-1-one?
The canonical SMILES for 6-hydroxy-3-methylidene-2-(4-methylphenyl)isoindol-1-one is C=C1c2ccc(O)cc2C(=O)N1c1ccc(C)cc1.
What is the InChIKey of 6-hydroxy-3-methylidene-2-(4-methylphenyl)isoindol-1-one?
The InChIKey is CJSZEYNAPBQOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c1-10-3-5-12(6-4-10)17-11(2)14-8-7-13(18)9-15(14)16(17)19/h3-9,18H,2H2,1H3.
What are the key properties of 6-hydroxy-3-methylidene-2-(4-methylphenyl)isoindol-1-one?
6-hydroxy-3-methylidene-2-(4-methylphenyl)isoindol-1-one has a molecular weight of 251.28 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-3-methylidene-2-(4-methylphenyl)isoindol-1-one is sourced from PubChem (CID 102006043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).