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

C19H24N2O4 — CID 164664263

IUPAC5-ethoxy-2-[4-(4-methoxyphenoxy)-5-methylpyrazolidin-3-yl]phenol
SMILESCCOc1ccc(C2NNC(C)C2Oc2ccc(OC)cc2)c(O)c1
InChIInChI=1S/C19H24N2O4/c1-4-24-15-9-10-16(17(22)11-15)18-19(12(2)20-21-18)25-14-7-5-13(23-3)6-8-14/h5-12,18-22H,4H2,1-3H3
InChIKeyBBMOOZSSABTVHR-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.78
Rot. Bonds6

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

5-ethoxy-2-[4-(4-methoxyphenoxy)-5-methylpyrazolidin-3-yl]phenol (PubChem CID 164664263) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 5-ethoxy-2-[4-(4-methoxyphenoxy)-5-methylpyrazolidin-3-yl]phenol.

Molecular Properties

Compound Name5-ethoxy-2-[4-(4-methoxyphenoxy)-5-methylpyrazolidin-3-yl]phenol
PubChem CID164664263
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name5-ethoxy-2-[4-(4-methoxyphenoxy)-5-methylpyrazolidin-3-yl]phenol
SMILESCCOc1ccc(C2NNC(C)C2Oc2ccc(OC)cc2)c(O)c1
InChIInChI=1S/C19H24N2O4/c1-4-24-15-9-10-16(17(22)11-15)18-19(12(2)20-21-18)25-14-7-5-13(23-3)6-8-14/h5-12,18-22H,4H2,1-3H3
InChIKeyBBMOOZSSABTVHR-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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Related Compounds

5-ethoxy-2-[4-(2-methoxyphenoxy)-5-methylpyrazolidin-3-yl]phenol
CID 167998189
ethyl 4-[3-[2-hydroxy-4-(2-methylprop-2-enoxy)phenyl]-5-methylpyrazolidin-4-yl]oxybenzoate
CID 156590125
4-[4-(2-methoxyphenoxy)-5-methylpyrazolidin-3-yl]benzene-1,3-diol
CID 167998117
5-methoxy-2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazolidin-3-yl]phenol
CID 156590486
2-[4-(3,4-dimethoxyphenyl)-5-methylpyrazolidin-3-yl]-5-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]phenol
CID 156591805
4-ethoxy-2-methoxyphenol
CID 54107015
2-[(2R)-azetidin-2-yl]-4-ethoxyphenol
CID 55263715
6,10,18,22-tetraethoxy-2,8,14,20-tetrakis(4-methoxyphenyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9,11,13(27),15(26),16,18,21,23-dodecaene-4,12,16,24-tetrol
CID 89137797
sodium;chloroethane;1-ethoxy-4-methoxybenzene;4-methoxyphenol;hydroxide
CID 159331010
2-[3-(2,4-diethoxyphenyl)propyl]-5-[(4-methoxyphenyl)methoxy]phenol
CID 139826466
6-ethoxy-2-hydroxycyclohepta-2,4,6-trien-1-one
CID 101076460
5-methoxy-2-[4-(2-methyl-1,3-thiazol-5-yl)pyrazolidin-3-yl]phenol
CID 178187467

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-[4-(4-methoxyphenoxy)-5-methylpyrazolidin-3-yl]phenol?
The IUPAC name of 5-ethoxy-2-[4-(4-methoxyphenoxy)-5-methylpyrazolidin-3-yl]phenol (CID 164664263) is 5-ethoxy-2-[4-(4-methoxyphenoxy)-5-methylpyrazolidin-3-yl]phenol.
What is the SMILES notation for 5-ethoxy-2-[4-(4-methoxyphenoxy)-5-methylpyrazolidin-3-yl]phenol?
The canonical SMILES for 5-ethoxy-2-[4-(4-methoxyphenoxy)-5-methylpyrazolidin-3-yl]phenol is CCOc1ccc(C2NNC(C)C2Oc2ccc(OC)cc2)c(O)c1.
What is the InChIKey of 5-ethoxy-2-[4-(4-methoxyphenoxy)-5-methylpyrazolidin-3-yl]phenol?
The InChIKey is BBMOOZSSABTVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-4-24-15-9-10-16(17(22)11-15)18-19(12(2)20-21-18)25-14-7-5-13(23-3)6-8-14/h5-12,18-22H,4H2,1-3H3.
What are the key properties of 5-ethoxy-2-[4-(4-methoxyphenoxy)-5-methylpyrazolidin-3-yl]phenol?
5-ethoxy-2-[4-(4-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-(4-methoxyphenoxy)-5-methylpyrazolidin-3-yl]phenol is sourced from PubChem (CID 164664263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).