1-(2-hydroxyphenyl)-6,7-dihydro-5H-indazol-4-one

C13H12N2O2 — CID 83861379

IUPAC1-(2-hydroxyphenyl)-6,7-dihydro-5H-indazol-4-one
SMILESO=C1CCCc2c1cnn2-c1ccccc1O
InChIInChI=1S/C13H12N2O2/c16-12-7-3-5-10-9(12)8-14-15(10)11-4-1-2-6-13(11)17/h1-2,4,6,8,17H,3,5,7H2
InChIKeyRKGPMXYZLARGEL-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.10
Rot. Bonds1

About 1-(2-hydroxyphenyl)-6,7-dihydro-5H-indazol-4-one

1-(2-hydroxyphenyl)-6,7-dihydro-5H-indazol-4-one (PubChem CID 83861379) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 1-(2-hydroxyphenyl)-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name1-(2-hydroxyphenyl)-6,7-dihydro-5H-indazol-4-one
PubChem CID83861379
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name1-(2-hydroxyphenyl)-6,7-dihydro-5H-indazol-4-one
SMILESO=C1CCCc2c1cnn2-c1ccccc1O
InChIInChI=1S/C13H12N2O2/c16-12-7-3-5-10-9(12)8-14-15(10)11-4-1-2-6-13(11)17/h1-2,4,6,8,17H,3,5,7H2
InChIKeyRKGPMXYZLARGEL-UHFFFAOYSA-N
XLogP2.10
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyphenyl)-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of 1-(2-hydroxyphenyl)-6,7-dihydro-5H-indazol-4-one (CID 83861379) is 1-(2-hydroxyphenyl)-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for 1-(2-hydroxyphenyl)-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for 1-(2-hydroxyphenyl)-6,7-dihydro-5H-indazol-4-one is O=C1CCCc2c1cnn2-c1ccccc1O.
What is the InChIKey of 1-(2-hydroxyphenyl)-6,7-dihydro-5H-indazol-4-one?
The InChIKey is RKGPMXYZLARGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c16-12-7-3-5-10-9(12)8-14-15(10)11-4-1-2-6-13(11)17/h1-2,4,6,8,17H,3,5,7H2.
What are the key properties of 1-(2-hydroxyphenyl)-6,7-dihydro-5H-indazol-4-one?
1-(2-hydroxyphenyl)-6,7-dihydro-5H-indazol-4-one has a molecular weight of 228.25 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyphenyl)-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 83861379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).