6-(3-hydroxyphenyl)-4H-isoquinoline-1,3-dione

C15H11NO3 — CID 122483588

IUPAC6-(3-hydroxyphenyl)-4H-isoquinoline-1,3-dione
SMILESO=C1Cc2cc(-c3cccc(O)c3)ccc2C(=O)N1
InChIInChI=1S/C15H11NO3/c17-12-3-1-2-9(7-12)10-4-5-13-11(6-10)8-14(18)16-15(13)19/h1-7,17H,8H2,(H,16,18,19)
InChIKeyYZYNXGGZERJJCE-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.87
Rot. Bonds1

About 6-(3-hydroxyphenyl)-4H-isoquinoline-1,3-dione

6-(3-hydroxyphenyl)-4H-isoquinoline-1,3-dione (PubChem CID 122483588) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 6-(3-hydroxyphenyl)-4H-isoquinoline-1,3-dione.

Molecular Properties

Compound Name6-(3-hydroxyphenyl)-4H-isoquinoline-1,3-dione
PubChem CID122483588
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name6-(3-hydroxyphenyl)-4H-isoquinoline-1,3-dione
SMILESO=C1Cc2cc(-c3cccc(O)c3)ccc2C(=O)N1
InChIInChI=1S/C15H11NO3/c17-12-3-1-2-9(7-12)10-4-5-13-11(6-10)8-14(18)16-15(13)19/h1-7,17H,8H2,(H,16,18,19)
InChIKeyYZYNXGGZERJJCE-UHFFFAOYSA-N
XLogP1.87
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxyphenyl)-4H-isoquinoline-1,3-dione?
The IUPAC name of 6-(3-hydroxyphenyl)-4H-isoquinoline-1,3-dione (CID 122483588) is 6-(3-hydroxyphenyl)-4H-isoquinoline-1,3-dione.
What is the SMILES notation for 6-(3-hydroxyphenyl)-4H-isoquinoline-1,3-dione?
The canonical SMILES for 6-(3-hydroxyphenyl)-4H-isoquinoline-1,3-dione is O=C1Cc2cc(-c3cccc(O)c3)ccc2C(=O)N1.
What is the InChIKey of 6-(3-hydroxyphenyl)-4H-isoquinoline-1,3-dione?
The InChIKey is YZYNXGGZERJJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3/c17-12-3-1-2-9(7-12)10-4-5-13-11(6-10)8-14(18)16-15(13)19/h1-7,17H,8H2,(H,16,18,19).
What are the key properties of 6-(3-hydroxyphenyl)-4H-isoquinoline-1,3-dione?
6-(3-hydroxyphenyl)-4H-isoquinoline-1,3-dione has a molecular weight of 253.26 g/mol, XLogP of 1.87, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxyphenyl)-4H-isoquinoline-1,3-dione is sourced from PubChem (CID 122483588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).