3-hydroxy-2-methoxy-3H-isoindol-1-one

C9H9NO3 — CID 123451944

IUPAC3-hydroxy-2-methoxy-3H-isoindol-1-one
SMILESCON1C(=O)c2ccccc2C1O
InChIInChI=1S/C9H9NO3/c1-13-10-8(11)6-4-2-3-5-7(6)9(10)12/h2-5,8,11H,1H3
InChIKeyWUZBRAXCPRGSCW-UHFFFAOYSA-N
MW179.17 g/mol
LogP0.69
Rot. Bonds1

About 3-hydroxy-2-methoxy-3H-isoindol-1-one

3-hydroxy-2-methoxy-3H-isoindol-1-one (PubChem CID 123451944) has the molecular formula C9H9NO3 and a molecular weight of 179.17 g/mol. Its IUPAC name is 3-hydroxy-2-methoxy-3H-isoindol-1-one.

Molecular Properties

Compound Name3-hydroxy-2-methoxy-3H-isoindol-1-one
PubChem CID123451944
Molecular FormulaC9H9NO3
Molecular Weight179.17 g/mol
Exact Mass179.06
IUPAC Name3-hydroxy-2-methoxy-3H-isoindol-1-one
SMILESCON1C(=O)c2ccccc2C1O
InChIInChI=1S/C9H9NO3/c1-13-10-8(11)6-4-2-3-5-7(6)9(10)12/h2-5,8,11H,1H3
InChIKeyWUZBRAXCPRGSCW-UHFFFAOYSA-N
XLogP0.69
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-2-methoxy-3H-isoquinoline-1,4-dione
CID 154638824
(1-hydroxy-3-oxo-1H-isoindol-2-yl) sulfite
CID 154525774
3-hydroxy-2-(2-phenylethoxy)-3H-isoindol-1-one
CID 137496403
3-hydroxy-2-(4-methoxyphenyl)-3H-isoindol-1-one
CID 3688143
3-(azidomethyl)-2-methoxy-3H-isoindol-1-one
CID 177487187
1-hydroxy-N-methyl-3-oxo-1H-isoindole-2-carbothioamide
CID 102440893
(3R)-3-hydroxy-2-propanoyl-3H-isoindol-1-one
CID 102270408
(1-hydroxy-3-oxo-1H-isoindol-2-yl) 2-acetamido-3-phenylpropanoate
CID 146479709
methyl (E,2S)-2-[(1R)-1-hydroxy-3-oxo-1H-isoindol-2-yl]pent-3-enoate
CID 5467959
3-hydroxy-2-(2-hydroxy-2-methylpropyl)-3H-isoindol-1-one
CID 143664494
3-hydroxy-2-[(4-methoxyphenyl)sulfanylmethyl]-3H-isoindol-1-one
CID 11174118
4-[2-[(1-hydroxy-3-oxo-1H-isoindol-2-yl)oxy]ethyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 135132388

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methoxy-3H-isoindol-1-one?
The IUPAC name of 3-hydroxy-2-methoxy-3H-isoindol-1-one (CID 123451944) is 3-hydroxy-2-methoxy-3H-isoindol-1-one.
What is the SMILES notation for 3-hydroxy-2-methoxy-3H-isoindol-1-one?
The canonical SMILES for 3-hydroxy-2-methoxy-3H-isoindol-1-one is CON1C(=O)c2ccccc2C1O.
What is the InChIKey of 3-hydroxy-2-methoxy-3H-isoindol-1-one?
The InChIKey is WUZBRAXCPRGSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3/c1-13-10-8(11)6-4-2-3-5-7(6)9(10)12/h2-5,8,11H,1H3.
What are the key properties of 3-hydroxy-2-methoxy-3H-isoindol-1-one?
3-hydroxy-2-methoxy-3H-isoindol-1-one has a molecular weight of 179.17 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methoxy-3H-isoindol-1-one is sourced from PubChem (CID 123451944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).