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

C17H20N2O4 — CID 167998117

IUPAC4-[4-(2-methoxyphenoxy)-5-methylpyrazolidin-3-yl]benzene-1,3-diol
SMILESCOc1ccccc1OC1C(C)NNC1c1ccc(O)cc1O
InChIInChI=1S/C17H20N2O4/c1-10-17(23-15-6-4-3-5-14(15)22-2)16(19-18-10)12-8-7-11(20)9-13(12)21/h3-10,16-21H,1-2H3
InChIKeyDIKMZAWLLQBYOO-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.09
Rot. Bonds4

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

4-[4-(2-methoxyphenoxy)-5-methylpyrazolidin-3-yl]benzene-1,3-diol (PubChem CID 167998117) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 4-[4-(2-methoxyphenoxy)-5-methylpyrazolidin-3-yl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[4-(2-methoxyphenoxy)-5-methylpyrazolidin-3-yl]benzene-1,3-diol
PubChem CID167998117
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name4-[4-(2-methoxyphenoxy)-5-methylpyrazolidin-3-yl]benzene-1,3-diol
SMILESCOc1ccccc1OC1C(C)NNC1c1ccc(O)cc1O
InChIInChI=1S/C17H20N2O4/c1-10-17(23-15-6-4-3-5-14(15)22-2)16(19-18-10)12-8-7-11(20)9-13(12)21/h3-10,16-21H,1-2H3
InChIKeyDIKMZAWLLQBYOO-UHFFFAOYSA-N
XLogP2.09
TPSA82.98 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-ethoxy-2-[4-(2-methoxyphenoxy)-5-methylpyrazolidin-3-yl]phenol
CID 167998189
4-[4-(2-methoxyphenyl)-5-methylpyrazolidin-3-yl]benzene-1,3-diol
CID 167999892
5-ethoxy-2-[4-(4-methoxyphenoxy)-5-methylpyrazolidin-3-yl]phenol
CID 164664263
4-methoxybenzene-1,3-diol;2-methyloxirane
CID 131711455
2-[4-(3,4-dimethoxyphenyl)-5-methylpyrazolidin-3-yl]-5-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]phenol
CID 156591805
4-cyclopropyloxy-3-methoxyphenol
CID 84657279
2-methoxyphenol;2-methylbenzene-1,4-diol
CID 161187108
2-(2-methoxyphenyl)-2,3-dihydro-1H-indol-5-ol
CID 84702637
3-methoxy-2-(3-methylcyclobutyl)phenol
CID 163644409
4-[1-hydroxy-1-(2-methoxyphenyl)propyl]benzene-1,3-diol
CID 57055631
azane;2-methoxyphenol
CID 172717837
2-(2-methoxyphenyl)-3,4-dihydro-2H-chromene-4,6-diol
CID 161182223

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxyphenoxy)-5-methylpyrazolidin-3-yl]benzene-1,3-diol?
The IUPAC name of 4-[4-(2-methoxyphenoxy)-5-methylpyrazolidin-3-yl]benzene-1,3-diol (CID 167998117) is 4-[4-(2-methoxyphenoxy)-5-methylpyrazolidin-3-yl]benzene-1,3-diol.
What is the SMILES notation for 4-[4-(2-methoxyphenoxy)-5-methylpyrazolidin-3-yl]benzene-1,3-diol?
The canonical SMILES for 4-[4-(2-methoxyphenoxy)-5-methylpyrazolidin-3-yl]benzene-1,3-diol is COc1ccccc1OC1C(C)NNC1c1ccc(O)cc1O.
What is the InChIKey of 4-[4-(2-methoxyphenoxy)-5-methylpyrazolidin-3-yl]benzene-1,3-diol?
The InChIKey is DIKMZAWLLQBYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-10-17(23-15-6-4-3-5-14(15)22-2)16(19-18-10)12-8-7-11(20)9-13(12)21/h3-10,16-21H,1-2H3.
What are the key properties of 4-[4-(2-methoxyphenoxy)-5-methylpyrazolidin-3-yl]benzene-1,3-diol?
4-[4-(2-methoxyphenoxy)-5-methylpyrazolidin-3-yl]benzene-1,3-diol has a molecular weight of 316.36 g/mol, XLogP of 2.09, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxyphenoxy)-5-methylpyrazolidin-3-yl]benzene-1,3-diol is sourced from PubChem (CID 167998117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).