3-hydroxy-2,6,7-trimethoxy-3-phenylisoindol-1-one

C17H17NO5 — CID 141336383

IUPAC3-hydroxy-2,6,7-trimethoxy-3-phenylisoindol-1-one
SMILESCOc1ccc2c(c1OC)C(=O)N(OC)C2(O)c1ccccc1
InChIInChI=1S/C17H17NO5/c1-21-13-10-9-12-14(15(13)22-2)16(19)18(23-3)17(12,20)11-7-5-4-6-8-11/h4-10,20H,1-3H3
InChIKeyUQJWKDUQAUSBRO-UHFFFAOYSA-N
MW315.33 g/mol
LogP1.91
Rot. Bonds4

About 3-hydroxy-2,6,7-trimethoxy-3-phenylisoindol-1-one

3-hydroxy-2,6,7-trimethoxy-3-phenylisoindol-1-one (PubChem CID 141336383) has the molecular formula C17H17NO5 and a molecular weight of 315.33 g/mol. Its IUPAC name is 3-hydroxy-2,6,7-trimethoxy-3-phenylisoindol-1-one.

Molecular Properties

Compound Name3-hydroxy-2,6,7-trimethoxy-3-phenylisoindol-1-one
PubChem CID141336383
Molecular FormulaC17H17NO5
Molecular Weight315.33 g/mol
Exact Mass315.11
IUPAC Name3-hydroxy-2,6,7-trimethoxy-3-phenylisoindol-1-one
SMILESCOc1ccc2c(c1OC)C(=O)N(OC)C2(O)c1ccccc1
InChIInChI=1S/C17H17NO5/c1-21-13-10-9-12-14(15(13)22-2)16(19)18(23-3)17(12,20)11-7-5-4-6-8-11/h4-10,20H,1-3H3
InChIKeyUQJWKDUQAUSBRO-UHFFFAOYSA-N
XLogP1.91
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,5-dimethoxy-2-(1-phenylethyl)isoindole-1,3-dione
CID 69018522
2-benzoyl-3-hydroxy-5,6-dimethoxy-3-phenylisoindol-1-one
CID 169084255
2,5,6-trimethoxy-2-phenyl-3H-chromen-4-one
CID 161109582
6,7-dimethoxy-2-propyl-3H-isoindol-1-one
CID 86014063
2-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)-6,7-dimethoxy-3H-isoindol-1-one
CID 24773797
3-(4-chlorophenyl)-3-hydroxy-2-methoxyisoquinoline-1,4-dione
CID 122395693
4,5-dimethoxy-2-pyridin-1-ium-2-ylisoindole-1,3-dione
CID 3449488
(4aS,12bS,12cR)-4a-hydroxy-9,10-dimethoxy-1,2,3,4,5,6,12b,12c-octahydroisoindolo[1,2-a]isoquinolin-8-one
CID 6611772
(3R)-3-hydroxy-2-methyl-3-phenylisoindol-1-one
CID 848840
4,5-dimethoxy-2-(2-methylphenyl)isoindole-1,3-dione
CID 832150
4,5-dimethoxy-3-oxo-N,2-diphenyl-1H-isoindole-1-carboxamide
CID 3743192
6,7-dimethoxy-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-isoindol-1-one
CID 68967237

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2,6,7-trimethoxy-3-phenylisoindol-1-one?
The IUPAC name of 3-hydroxy-2,6,7-trimethoxy-3-phenylisoindol-1-one (CID 141336383) is 3-hydroxy-2,6,7-trimethoxy-3-phenylisoindol-1-one.
What is the SMILES notation for 3-hydroxy-2,6,7-trimethoxy-3-phenylisoindol-1-one?
The canonical SMILES for 3-hydroxy-2,6,7-trimethoxy-3-phenylisoindol-1-one is COc1ccc2c(c1OC)C(=O)N(OC)C2(O)c1ccccc1.
What is the InChIKey of 3-hydroxy-2,6,7-trimethoxy-3-phenylisoindol-1-one?
The InChIKey is UQJWKDUQAUSBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5/c1-21-13-10-9-12-14(15(13)22-2)16(19)18(23-3)17(12,20)11-7-5-4-6-8-11/h4-10,20H,1-3H3.
What are the key properties of 3-hydroxy-2,6,7-trimethoxy-3-phenylisoindol-1-one?
3-hydroxy-2,6,7-trimethoxy-3-phenylisoindol-1-one has a molecular weight of 315.33 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2,6,7-trimethoxy-3-phenylisoindol-1-one is sourced from PubChem (CID 141336383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).