4-[4-(2-methoxyphenyl)-5-methylpyrazolidin-3-yl]benzene-1,3-diol

C17H20N2O3 — CID 167999892

IUPAC4-[4-(2-methoxyphenyl)-5-methylpyrazolidin-3-yl]benzene-1,3-diol
SMILESCOc1ccccc1C1C(C)NNC1c1ccc(O)cc1O
InChIInChI=1S/C17H20N2O3/c1-10-16(13-5-3-4-6-15(13)22-2)17(19-18-10)12-8-7-11(20)9-14(12)21/h3-10,16-21H,1-2H3
InChIKeyMZJDLFAJPOAJBW-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.43
Rot. Bonds3

About 4-[4-(2-methoxyphenyl)-5-methylpyrazolidin-3-yl]benzene-1,3-diol

4-[4-(2-methoxyphenyl)-5-methylpyrazolidin-3-yl]benzene-1,3-diol (PubChem CID 167999892) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-[4-(2-methoxyphenyl)-5-methylpyrazolidin-3-yl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[4-(2-methoxyphenyl)-5-methylpyrazolidin-3-yl]benzene-1,3-diol
PubChem CID167999892
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name4-[4-(2-methoxyphenyl)-5-methylpyrazolidin-3-yl]benzene-1,3-diol
SMILESCOc1ccccc1C1C(C)NNC1c1ccc(O)cc1O
InChIInChI=1S/C17H20N2O3/c1-10-16(13-5-3-4-6-15(13)22-2)17(19-18-10)12-8-7-11(20)9-14(12)21/h3-10,16-21H,1-2H3
InChIKeyMZJDLFAJPOAJBW-UHFFFAOYSA-N
XLogP2.43
TPSA73.75 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-[4-(2-methoxyphenoxy)-5-methylpyrazolidin-3-yl]benzene-1,3-diol
CID 167998117
5-ethoxy-2-[4-(2-methoxyphenoxy)-5-methylpyrazolidin-3-yl]phenol
CID 167998189
6-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexane
CID 83817894
2-[4-(3,4-dimethoxyphenyl)-5-methylpyrazolidin-3-yl]-5-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]phenol
CID 156591805
2-(2-methoxyphenyl)-2,3-dihydro-1H-indol-5-ol
CID 84702637
5-ethoxy-2-[4-(4-methoxyphenoxy)-5-methylpyrazolidin-3-yl]phenol
CID 164664263
2-methoxyphenol;molecular bromine
CID 141484212
2-methoxyphenol;2-methylbenzene-1,4-diol
CID 161187108
(1R,3S,3aR,6aS)-1-(2,4-dihydroxyphenyl)-5-(2-methoxyphenyl)-3-(2-methylpropyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid
CID 40849972
5-methoxy-2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazolidin-3-yl]phenol
CID 156590486
4-methoxybenzene-1,3-diol;2-methyloxirane
CID 131711455
4-[1-hydroxy-1-(2-methoxyphenyl)propyl]benzene-1,3-diol
CID 57055631

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxyphenyl)-5-methylpyrazolidin-3-yl]benzene-1,3-diol?
The IUPAC name of 4-[4-(2-methoxyphenyl)-5-methylpyrazolidin-3-yl]benzene-1,3-diol (CID 167999892) is 4-[4-(2-methoxyphenyl)-5-methylpyrazolidin-3-yl]benzene-1,3-diol.
What is the SMILES notation for 4-[4-(2-methoxyphenyl)-5-methylpyrazolidin-3-yl]benzene-1,3-diol?
The canonical SMILES for 4-[4-(2-methoxyphenyl)-5-methylpyrazolidin-3-yl]benzene-1,3-diol is COc1ccccc1C1C(C)NNC1c1ccc(O)cc1O.
What is the InChIKey of 4-[4-(2-methoxyphenyl)-5-methylpyrazolidin-3-yl]benzene-1,3-diol?
The InChIKey is MZJDLFAJPOAJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-10-16(13-5-3-4-6-15(13)22-2)17(19-18-10)12-8-7-11(20)9-14(12)21/h3-10,16-21H,1-2H3.
What are the key properties of 4-[4-(2-methoxyphenyl)-5-methylpyrazolidin-3-yl]benzene-1,3-diol?
4-[4-(2-methoxyphenyl)-5-methylpyrazolidin-3-yl]benzene-1,3-diol has a molecular weight of 300.36 g/mol, XLogP of 2.43, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxyphenyl)-5-methylpyrazolidin-3-yl]benzene-1,3-diol is sourced from PubChem (CID 167999892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).