2-[(4-hydroxyphenyl)methyl]-1-propylindazol-3-one

C17H18N2O2 — CID 176906742

IUPAC2-[(4-hydroxyphenyl)methyl]-1-propylindazol-3-one
SMILESCCCn1c2ccccc2c(=O)n1Cc1ccc(O)cc1
InChIInChI=1S/C17H18N2O2/c1-2-11-18-16-6-4-3-5-15(16)17(21)19(18)12-13-7-9-14(20)10-8-13/h3-10,20H,2,11-12H2,1H3
InChIKeyMNJHCVFSOSKERR-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.97
Rot. Bonds4

About 2-[(4-hydroxyphenyl)methyl]-1-propylindazol-3-one

2-[(4-hydroxyphenyl)methyl]-1-propylindazol-3-one (PubChem CID 176906742) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-[(4-hydroxyphenyl)methyl]-1-propylindazol-3-one.

Molecular Properties

Compound Name2-[(4-hydroxyphenyl)methyl]-1-propylindazol-3-one
PubChem CID176906742
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name2-[(4-hydroxyphenyl)methyl]-1-propylindazol-3-one
SMILESCCCn1c2ccccc2c(=O)n1Cc1ccc(O)cc1
InChIInChI=1S/C17H18N2O2/c1-2-11-18-16-6-4-3-5-15(16)17(21)19(18)12-13-7-9-14(20)10-8-13/h3-10,20H,2,11-12H2,1H3
InChIKeyMNJHCVFSOSKERR-UHFFFAOYSA-N
XLogP2.97
TPSA47.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-2-benzyl-5-tert-butyl-1-propylpyrazol-3-one
CID 61271755
2-amino-1-[(4-fluorophenyl)methyl]indazol-3-one
CID 152503994
3-[2-(4-hydroxyphenyl)ethyl]-1-[[4-[(E)-3-oxopent-1-enyl]phenyl]methyl]quinazoline-2,4-dione
CID 163967167
1-benzyl-3-(2-hydroxyethyl)quinazoline-2,4-dione
CID 53370489
4-hydroxy-1,3-dipropylquinolin-2-one
CID 54703043
3-butyl-1,5-bis[(4-hydroxyphenyl)methyl]-2,2-dimethylimidazolidin-4-one
CID 90762009
2-[(4-chlorophenyl)methyl]-4-propyl-[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione
CID 53058615
1-butyl-3-chloro-4-hydroxyquinolin-2-one
CID 54705930
3-acetyl-4-hydroxy-1-propylquinolin-2-one
CID 54711259
3-(2-fluorophenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione
CID 163854867
2-methyl-1-[(E)-2-methylbut-2-enyl]indazol-3-one
CID 143152087
3-[(3,4-dichlorophenyl)methyl]-1-propan-2-ylquinazoline-2,4-dione
CID 57069441

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxyphenyl)methyl]-1-propylindazol-3-one?
The IUPAC name of 2-[(4-hydroxyphenyl)methyl]-1-propylindazol-3-one (CID 176906742) is 2-[(4-hydroxyphenyl)methyl]-1-propylindazol-3-one.
What is the SMILES notation for 2-[(4-hydroxyphenyl)methyl]-1-propylindazol-3-one?
The canonical SMILES for 2-[(4-hydroxyphenyl)methyl]-1-propylindazol-3-one is CCCn1c2ccccc2c(=O)n1Cc1ccc(O)cc1.
What is the InChIKey of 2-[(4-hydroxyphenyl)methyl]-1-propylindazol-3-one?
The InChIKey is MNJHCVFSOSKERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-2-11-18-16-6-4-3-5-15(16)17(21)19(18)12-13-7-9-14(20)10-8-13/h3-10,20H,2,11-12H2,1H3.
What are the key properties of 2-[(4-hydroxyphenyl)methyl]-1-propylindazol-3-one?
2-[(4-hydroxyphenyl)methyl]-1-propylindazol-3-one has a molecular weight of 282.34 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxyphenyl)methyl]-1-propylindazol-3-one is sourced from PubChem (CID 176906742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).