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

C15H13NO3 — CID 10658659

IUPAC3-hydroxy-3-(4-methoxyphenyl)-2H-isoindol-1-one
SMILESCOc1ccc(C2(O)NC(=O)c3ccccc32)cc1
InChIInChI=1S/C15H13NO3/c1-19-11-8-6-10(7-9-11)15(18)13-5-3-2-4-12(13)14(17)16-15/h2-9,18H,1H3,(H,16,17)
InChIKeyLUFCKFOOXDPWBV-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.63
Rot. Bonds2

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

3-hydroxy-3-(4-methoxyphenyl)-2H-isoindol-1-one (PubChem CID 10658659) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 3-hydroxy-3-(4-methoxyphenyl)-2H-isoindol-1-one.

Molecular Properties

Compound Name3-hydroxy-3-(4-methoxyphenyl)-2H-isoindol-1-one
PubChem CID10658659
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name3-hydroxy-3-(4-methoxyphenyl)-2H-isoindol-1-one
SMILESCOc1ccc(C2(O)NC(=O)c3ccccc32)cc1
InChIInChI=1S/C15H13NO3/c1-19-11-8-6-10(7-9-11)15(18)13-5-3-2-4-12(13)14(17)16-15/h2-9,18H,1H3,(H,16,17)
InChIKeyLUFCKFOOXDPWBV-UHFFFAOYSA-N
XLogP1.63
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-(4-methoxyphenyl)-2H-isoindol-1-one?
The IUPAC name of 3-hydroxy-3-(4-methoxyphenyl)-2H-isoindol-1-one (CID 10658659) is 3-hydroxy-3-(4-methoxyphenyl)-2H-isoindol-1-one.
What is the SMILES notation for 3-hydroxy-3-(4-methoxyphenyl)-2H-isoindol-1-one?
The canonical SMILES for 3-hydroxy-3-(4-methoxyphenyl)-2H-isoindol-1-one is COc1ccc(C2(O)NC(=O)c3ccccc32)cc1.
What is the InChIKey of 3-hydroxy-3-(4-methoxyphenyl)-2H-isoindol-1-one?
The InChIKey is LUFCKFOOXDPWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-19-11-8-6-10(7-9-11)15(18)13-5-3-2-4-12(13)14(17)16-15/h2-9,18H,1H3,(H,16,17).
What are the key properties of 3-hydroxy-3-(4-methoxyphenyl)-2H-isoindol-1-one?
3-hydroxy-3-(4-methoxyphenyl)-2H-isoindol-1-one has a molecular weight of 255.27 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-(4-methoxyphenyl)-2H-isoindol-1-one is sourced from PubChem (CID 10658659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).