benzene-1,4-diol;4-methyl-1-phenylpyrazolidin-3-one

C16H18N2O3 — CID 163578199

IUPACbenzene-1,4-diol;4-methyl-1-phenylpyrazolidin-3-one
SMILESCC1CN(c2ccccc2)NC1=O.Oc1ccc(O)cc1
InChIInChI=1S/C10H12N2O.C6H6O2/c1-8-7-12(11-10(8)13)9-5-3-2-4-6-9;7-5-1-2-6(8)4-3-5/h2-6,8H,7H2,1H3,(H,11,13);1-4,7-8H
InChIKeyGFIWXLPJOFXZEI-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.27
Rot. Bonds1

About benzene-1,4-diol;4-methyl-1-phenylpyrazolidin-3-one

benzene-1,4-diol;4-methyl-1-phenylpyrazolidin-3-one (PubChem CID 163578199) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is benzene-1,4-diol;4-methyl-1-phenylpyrazolidin-3-one.

Molecular Properties

Compound Namebenzene-1,4-diol;4-methyl-1-phenylpyrazolidin-3-one
PubChem CID163578199
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Namebenzene-1,4-diol;4-methyl-1-phenylpyrazolidin-3-one
SMILESCC1CN(c2ccccc2)NC1=O.Oc1ccc(O)cc1
InChIInChI=1S/C10H12N2O.C6H6O2/c1-8-7-12(11-10(8)13)9-5-3-2-4-6-9;7-5-1-2-6(8)4-3-5/h2-6,8H,7H2,1H3,(H,11,13);1-4,7-8H
InChIKeyGFIWXLPJOFXZEI-UHFFFAOYSA-N
XLogP2.27
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze benzene-1,4-diol;4-methyl-1-phenylpyrazolidin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-1-phenylpyrazolidin-3-one
CID 158996523
(4R)-4-methyl-1-phenylpyrazolidin-3-one
CID 685628
4-hydroxy-1-phenylpyrazolidin-3-one
CID 22417558
4-(2-hydroxypropan-2-yl)-1-phenylpyrazolidin-3-one
CID 14840377
4-(2-hydroxyethyl)-1-phenylpyrazolidin-3-one
CID 14840375
methane;4-(methoxymethyl)-1-phenylpyrazolidin-3-one
CID 159587587
4-methoxy-5-methyl-1-phenyl-1,2,4-triazinan-3-one
CID 10560937
4-[2-(dimethylamino)ethyl]-1-phenylpyrazolidin-3-one
CID 14840376
4-[(E)-pent-2-enyl]-1-phenylpyrazolidin-3-one
CID 23393107
2,4-dimethyl-1-phenylpyrazolidin-3-one
CID 19777787
1-phenyl-4-(thiophen-2-ylmethyl)pyrazolidin-3-one
CID 14840379
4-methyl-1-[3-(3,7,11,15-tetramethylhexadecoxy)phenyl]pyrazolidin-3-one
CID 23393099

Frequently Asked Questions

What is the IUPAC name of benzene-1,4-diol;4-methyl-1-phenylpyrazolidin-3-one?
The IUPAC name of benzene-1,4-diol;4-methyl-1-phenylpyrazolidin-3-one (CID 163578199) is benzene-1,4-diol;4-methyl-1-phenylpyrazolidin-3-one.
What is the SMILES notation for benzene-1,4-diol;4-methyl-1-phenylpyrazolidin-3-one?
The canonical SMILES for benzene-1,4-diol;4-methyl-1-phenylpyrazolidin-3-one is CC1CN(c2ccccc2)NC1=O.Oc1ccc(O)cc1.
What is the InChIKey of benzene-1,4-diol;4-methyl-1-phenylpyrazolidin-3-one?
The InChIKey is GFIWXLPJOFXZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O.C6H6O2/c1-8-7-12(11-10(8)13)9-5-3-2-4-6-9;7-5-1-2-6(8)4-3-5/h2-6,8H,7H2,1H3,(H,11,13);1-4,7-8H.
What are the key properties of benzene-1,4-diol;4-methyl-1-phenylpyrazolidin-3-one?
benzene-1,4-diol;4-methyl-1-phenylpyrazolidin-3-one has a molecular weight of 286.33 g/mol, XLogP of 2.27, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,4-diol;4-methyl-1-phenylpyrazolidin-3-one is sourced from PubChem (CID 163578199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).