5-ethoxy-2-[4-(2-methoxyphenoxy)-5-methylpyrazolidin-3-yl]phenol

C19H24N2O4 — CID 167998189

IUPAC5-ethoxy-2-[4-(2-methoxyphenoxy)-5-methylpyrazolidin-3-yl]phenol
SMILESCCOc1ccc(C2NNC(C)C2Oc2ccccc2OC)c(O)c1
InChIInChI=1S/C19H24N2O4/c1-4-24-13-9-10-14(15(22)11-13)18-19(12(2)20-21-18)25-17-8-6-5-7-16(17)23-3/h5-12,18-22H,4H2,1-3H3
InChIKeySRHCTEGEXYOMSB-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.78
Rot. Bonds6

About 5-ethoxy-2-[4-(2-methoxyphenoxy)-5-methylpyrazolidin-3-yl]phenol

5-ethoxy-2-[4-(2-methoxyphenoxy)-5-methylpyrazolidin-3-yl]phenol (PubChem CID 167998189) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 5-ethoxy-2-[4-(2-methoxyphenoxy)-5-methylpyrazolidin-3-yl]phenol.

Molecular Properties

Compound Name5-ethoxy-2-[4-(2-methoxyphenoxy)-5-methylpyrazolidin-3-yl]phenol
PubChem CID167998189
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name5-ethoxy-2-[4-(2-methoxyphenoxy)-5-methylpyrazolidin-3-yl]phenol
SMILESCCOc1ccc(C2NNC(C)C2Oc2ccccc2OC)c(O)c1
InChIInChI=1S/C19H24N2O4/c1-4-24-13-9-10-14(15(22)11-13)18-19(12(2)20-21-18)25-17-8-6-5-7-16(17)23-3/h5-12,18-22H,4H2,1-3H3
InChIKeySRHCTEGEXYOMSB-UHFFFAOYSA-N
XLogP2.78
TPSA71.98 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-[4-(2-methoxyphenoxy)-5-methylpyrazolidin-3-yl]phenol?
The IUPAC name of 5-ethoxy-2-[4-(2-methoxyphenoxy)-5-methylpyrazolidin-3-yl]phenol (CID 167998189) is 5-ethoxy-2-[4-(2-methoxyphenoxy)-5-methylpyrazolidin-3-yl]phenol.
What is the SMILES notation for 5-ethoxy-2-[4-(2-methoxyphenoxy)-5-methylpyrazolidin-3-yl]phenol?
The canonical SMILES for 5-ethoxy-2-[4-(2-methoxyphenoxy)-5-methylpyrazolidin-3-yl]phenol is CCOc1ccc(C2NNC(C)C2Oc2ccccc2OC)c(O)c1.
What is the InChIKey of 5-ethoxy-2-[4-(2-methoxyphenoxy)-5-methylpyrazolidin-3-yl]phenol?
The InChIKey is SRHCTEGEXYOMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-4-24-13-9-10-14(15(22)11-13)18-19(12(2)20-21-18)25-17-8-6-5-7-16(17)23-3/h5-12,18-22H,4H2,1-3H3.
What are the key properties of 5-ethoxy-2-[4-(2-methoxyphenoxy)-5-methylpyrazolidin-3-yl]phenol?
5-ethoxy-2-[4-(2-methoxyphenoxy)-5-methylpyrazolidin-3-yl]phenol has a molecular weight of 344.41 g/mol, XLogP of 2.78, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-[4-(2-methoxyphenoxy)-5-methylpyrazolidin-3-yl]phenol is sourced from PubChem (CID 167998189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).