3-hydroxy-2-(4-methoxyphenyl)-3H-isoindol-1-one

C15H13NO3 — CID 3688143

IUPAC3-hydroxy-2-(4-methoxyphenyl)-3H-isoindol-1-one
SMILESCOc1ccc(N2C(=O)c3ccccc3C2O)cc1
InChIInChI=1S/C15H13NO3/c1-19-11-8-6-10(7-9-11)16-14(17)12-4-2-3-5-13(12)15(16)18/h2-9,14,17H,1H3
InChIKeyGJYIWQYBISMEII-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.35
Rot. Bonds2

About 3-hydroxy-2-(4-methoxyphenyl)-3H-isoindol-1-one

3-hydroxy-2-(4-methoxyphenyl)-3H-isoindol-1-one (PubChem CID 3688143) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 3-hydroxy-2-(4-methoxyphenyl)-3H-isoindol-1-one.

Molecular Properties

Compound Name3-hydroxy-2-(4-methoxyphenyl)-3H-isoindol-1-one
PubChem CID3688143
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name3-hydroxy-2-(4-methoxyphenyl)-3H-isoindol-1-one
SMILESCOc1ccc(N2C(=O)c3ccccc3C2O)cc1
InChIInChI=1S/C15H13NO3/c1-19-11-8-6-10(7-9-11)16-14(17)12-4-2-3-5-13(12)15(16)18/h2-9,14,17H,1H3
InChIKeyGJYIWQYBISMEII-UHFFFAOYSA-N
XLogP2.35
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethoxyphenyl)-3-hydroxy-3H-isoindol-1-one
CID 5309890
(6aS)-6-(4-methoxyphenyl)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione
CID 40715931
4-hydroxy-3-(4-methoxyphenyl)-2-phenyl-3,4-dihydroisoquinolin-1-one
CID 12694474
2-(4-methoxyphenyl)-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid
CID 118560901
2-[2-(4-methoxyphenyl)-3-oxo-1H-isoindol-1-yl]acetonitrile
CID 11231262
3-hydroxy-2-[(4-methoxyphenyl)sulfanylmethyl]-3H-isoindol-1-one
CID 11174118
sodium (3R,4S)-2-(4-methoxyphenyl)-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxylate
CID 129160423
(3R,4R)-2,3-bis(4-methoxyphenyl)-N,N-dimethyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
CID 129160416
(3R,4R)-3-(4-methoxyphenyl)-1-oxo-2-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid
CID 118560922
2-(2-hydroxy-3-methoxyphenyl)-3-(4-methoxyphenyl)-1-methyl-2H-quinazolin-4-one
CID 42937122
(3S,4R)-3-(4-methoxyphenyl)-2-(4-methylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylate
CID 8003279
2-(2-hydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 3846487

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(4-methoxyphenyl)-3H-isoindol-1-one?
The IUPAC name of 3-hydroxy-2-(4-methoxyphenyl)-3H-isoindol-1-one (CID 3688143) is 3-hydroxy-2-(4-methoxyphenyl)-3H-isoindol-1-one.
What is the SMILES notation for 3-hydroxy-2-(4-methoxyphenyl)-3H-isoindol-1-one?
The canonical SMILES for 3-hydroxy-2-(4-methoxyphenyl)-3H-isoindol-1-one is COc1ccc(N2C(=O)c3ccccc3C2O)cc1.
What is the InChIKey of 3-hydroxy-2-(4-methoxyphenyl)-3H-isoindol-1-one?
The InChIKey is GJYIWQYBISMEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-19-11-8-6-10(7-9-11)16-14(17)12-4-2-3-5-13(12)15(16)18/h2-9,14,17H,1H3.
What are the key properties of 3-hydroxy-2-(4-methoxyphenyl)-3H-isoindol-1-one?
3-hydroxy-2-(4-methoxyphenyl)-3H-isoindol-1-one has a molecular weight of 255.27 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(4-methoxyphenyl)-3H-isoindol-1-one is sourced from PubChem (CID 3688143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).