2-(4-hydroxyphenyl)-6,7-dimethoxy-3H-isoindol-1-one

C16H15NO4 — CID 777030

IUPAC2-(4-hydroxyphenyl)-6,7-dimethoxy-3H-isoindol-1-one
SMILESCOc1ccc2c(c1OC)C(=O)N(c1ccc(O)cc1)C2
InChIInChI=1S/C16H15NO4/c1-20-13-8-3-10-9-17(11-4-6-12(18)7-5-11)16(19)14(10)15(13)21-2/h3-8,18H,9H2,1-2H3
InChIKeyRQCWUEWWALKGHC-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.57
Rot. Bonds3

About 2-(4-hydroxyphenyl)-6,7-dimethoxy-3H-isoindol-1-one

2-(4-hydroxyphenyl)-6,7-dimethoxy-3H-isoindol-1-one (PubChem CID 777030) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-6,7-dimethoxy-3H-isoindol-1-one.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-6,7-dimethoxy-3H-isoindol-1-one
PubChem CID777030
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name2-(4-hydroxyphenyl)-6,7-dimethoxy-3H-isoindol-1-one
SMILESCOc1ccc2c(c1OC)C(=O)N(c1ccc(O)cc1)C2
InChIInChI=1S/C16H15NO4/c1-20-13-8-3-10-9-17(11-4-6-12(18)7-5-11)16(19)14(10)15(13)21-2/h3-8,18H,9H2,1-2H3
InChIKeyRQCWUEWWALKGHC-UHFFFAOYSA-N
XLogP2.57
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-6,7-dimethoxy-3H-isoindol-1-one?
The IUPAC name of 2-(4-hydroxyphenyl)-6,7-dimethoxy-3H-isoindol-1-one (CID 777030) is 2-(4-hydroxyphenyl)-6,7-dimethoxy-3H-isoindol-1-one.
What is the SMILES notation for 2-(4-hydroxyphenyl)-6,7-dimethoxy-3H-isoindol-1-one?
The canonical SMILES for 2-(4-hydroxyphenyl)-6,7-dimethoxy-3H-isoindol-1-one is COc1ccc2c(c1OC)C(=O)N(c1ccc(O)cc1)C2.
What is the InChIKey of 2-(4-hydroxyphenyl)-6,7-dimethoxy-3H-isoindol-1-one?
The InChIKey is RQCWUEWWALKGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-20-13-8-3-10-9-17(11-4-6-12(18)7-5-11)16(19)14(10)15(13)21-2/h3-8,18H,9H2,1-2H3.
What are the key properties of 2-(4-hydroxyphenyl)-6,7-dimethoxy-3H-isoindol-1-one?
2-(4-hydroxyphenyl)-6,7-dimethoxy-3H-isoindol-1-one has a molecular weight of 285.30 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-6,7-dimethoxy-3H-isoindol-1-one is sourced from PubChem (CID 777030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).