5-[2-(4-hydroxyphenoxy)ethoxy]-1,2-diphenylpyrazol-3-one

C23H20N2O4 — CID 139627834

IUPAC5-[2-(4-hydroxyphenoxy)ethoxy]-1,2-diphenylpyrazol-3-one
SMILESO=c1cc(OCCOc2ccc(O)cc2)n(-c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C23H20N2O4/c26-20-11-13-21(14-12-20)28-15-16-29-23-17-22(27)24(18-7-3-1-4-8-18)25(23)19-9-5-2-6-10-19/h1-14,17,26H,15-16H2
InChIKeyINNUPSFAFPBKCC-UHFFFAOYSA-N
MW388.42 g/mol
LogP3.79
Rot. Bonds7

About 5-[2-(4-hydroxyphenoxy)ethoxy]-1,2-diphenylpyrazol-3-one

5-[2-(4-hydroxyphenoxy)ethoxy]-1,2-diphenylpyrazol-3-one (PubChem CID 139627834) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is 5-[2-(4-hydroxyphenoxy)ethoxy]-1,2-diphenylpyrazol-3-one.

Molecular Properties

Compound Name5-[2-(4-hydroxyphenoxy)ethoxy]-1,2-diphenylpyrazol-3-one
PubChem CID139627834
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name5-[2-(4-hydroxyphenoxy)ethoxy]-1,2-diphenylpyrazol-3-one
SMILESO=c1cc(OCCOc2ccc(O)cc2)n(-c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C23H20N2O4/c26-20-11-13-21(14-12-20)28-15-16-29-23-17-22(27)24(18-7-3-1-4-8-18)25(23)19-9-5-2-6-10-19/h1-14,17,26H,15-16H2
InChIKeyINNUPSFAFPBKCC-UHFFFAOYSA-N
XLogP3.79
TPSA65.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[10-(5-oxo-1,2-diphenylpyrazol-3-yl)oxydecoxy]-1,2-diphenylpyrazol-3-one
CID 139627827
1,4-dibutoxybenzene;phenol
CID 174756360
4-[5-(4-hydroxyphenoxy)pentoxy]phenol
CID 20548963
2-(4-hydroxyphenyl)-5-[2-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyethoxy]isoindole-1,3-dione
CID 2259703
5-(fluoromethyl)-1,2-diphenylpyrazol-3-one
CID 86211986
1,3-diphenylbenzene;4-phenylmethoxyphenol
CID 70041760
4-[2-(2-hydroxyethoxy)ethoxy]phenol;tungsten
CID 58924724
[4-[2-[4-(benzoyloxymethyl)phenoxy]ethoxy]phenyl]methyl benzoate
CID 175261342
1,1'-biphenyl;4-octadecoxyphenol
CID 158943857
2-(4-phenylmethoxyphenoxy)ethyl carbamate
CID 175203951
4-[6-(4-hydroxyphenoxy)hexoxy]benzoic acid
CID 71331211
4-[2-(4-benzylpiperidin-1-yl)ethoxy]phenol
CID 10086803

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-hydroxyphenoxy)ethoxy]-1,2-diphenylpyrazol-3-one?
The IUPAC name of 5-[2-(4-hydroxyphenoxy)ethoxy]-1,2-diphenylpyrazol-3-one (CID 139627834) is 5-[2-(4-hydroxyphenoxy)ethoxy]-1,2-diphenylpyrazol-3-one.
What is the SMILES notation for 5-[2-(4-hydroxyphenoxy)ethoxy]-1,2-diphenylpyrazol-3-one?
The canonical SMILES for 5-[2-(4-hydroxyphenoxy)ethoxy]-1,2-diphenylpyrazol-3-one is O=c1cc(OCCOc2ccc(O)cc2)n(-c2ccccc2)n1-c1ccccc1.
What is the InChIKey of 5-[2-(4-hydroxyphenoxy)ethoxy]-1,2-diphenylpyrazol-3-one?
The InChIKey is INNUPSFAFPBKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c26-20-11-13-21(14-12-20)28-15-16-29-23-17-22(27)24(18-7-3-1-4-8-18)25(23)19-9-5-2-6-10-19/h1-14,17,26H,15-16H2.
What are the key properties of 5-[2-(4-hydroxyphenoxy)ethoxy]-1,2-diphenylpyrazol-3-one?
5-[2-(4-hydroxyphenoxy)ethoxy]-1,2-diphenylpyrazol-3-one has a molecular weight of 388.42 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-hydroxyphenoxy)ethoxy]-1,2-diphenylpyrazol-3-one is sourced from PubChem (CID 139627834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).