2-[4-(3,4-dimethoxyphenyl)-5-methylpyrazolidin-3-yl]-5-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]phenol

C26H37N3O5 — CID 156591805

IUPAC2-[4-(3,4-dimethoxyphenyl)-5-methylpyrazolidin-3-yl]-5-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]phenol
SMILESCOc1ccc(C2C(C)NNC2c2ccc(OCCN3CC(C)OC(C)C3)cc2O)cc1OC
InChIInChI=1S/C26H37N3O5/c1-16-14-29(15-17(2)34-16)10-11-33-20-7-8-21(22(30)13-20)26-25(18(3)27-28-26)19-6-9-23(31-4)24(12-19)32-5/h6-9,12-13,16-18,25-28,30H,10-11,14-15H2,1-5H3
InChIKeyJWWMNMBCMMMXIW-UHFFFAOYSA-N
MW471.60 g/mol
LogP3.22
Rot. Bonds8

About 2-[4-(3,4-dimethoxyphenyl)-5-methylpyrazolidin-3-yl]-5-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]phenol

2-[4-(3,4-dimethoxyphenyl)-5-methylpyrazolidin-3-yl]-5-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]phenol (PubChem CID 156591805) has the molecular formula C26H37N3O5 and a molecular weight of 471.60 g/mol. Its IUPAC name is 2-[4-(3,4-dimethoxyphenyl)-5-methylpyrazolidin-3-yl]-5-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]phenol.

Molecular Properties

Compound Name2-[4-(3,4-dimethoxyphenyl)-5-methylpyrazolidin-3-yl]-5-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]phenol
PubChem CID156591805
Molecular FormulaC26H37N3O5
Molecular Weight471.60 g/mol
Exact Mass471.27
IUPAC Name2-[4-(3,4-dimethoxyphenyl)-5-methylpyrazolidin-3-yl]-5-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]phenol
SMILESCOc1ccc(C2C(C)NNC2c2ccc(OCCN3CC(C)OC(C)C3)cc2O)cc1OC
InChIInChI=1S/C26H37N3O5/c1-16-14-29(15-17(2)34-16)10-11-33-20-7-8-21(22(30)13-20)26-25(18(3)27-28-26)19-6-9-23(31-4)24(12-19)32-5/h6-9,12-13,16-18,25-28,30H,10-11,14-15H2,1-5H3
InChIKeyJWWMNMBCMMMXIW-UHFFFAOYSA-N
XLogP3.22
TPSA84.45 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.60
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-3-methoxyphenyl]ethanone
CID 7379476
(2S,6R)-4-[2-(2-methoxy-4-methylphenoxy)ethyl]-2,6-dimethylmorpholine
CID 887366
(2R,6R)-4-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]-2,6-dimethylmorpholine
CID 7413033
(2R,6R)-4-[2-(4-fluorophenoxy)ethyl]-2,6-dimethylmorpholine
CID 888238
5-ethoxy-2-[4-(2-methoxyphenoxy)-5-methylpyrazolidin-3-yl]phenol
CID 167998189
(2R,6S)-2,6-dimethyl-4-[2-(3-propoxyphenoxy)ethyl]morpholine
CID 7394222
(2R,6S)-2,6-dimethyl-4-[2-(3-methylphenoxy)ethyl]morpholine
CID 51970005
(2R,6R)-4-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]-2,6-dimethylmorpholine
CID 888280
5-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-2-(4-phenyl-1H-pyrazol-5-yl)phenol
CID 135774822
(2S,6S)-2,6-dimethyl-4-[2-(3-phenoxyphenoxy)ethyl]morpholine
CID 887587
(2R,6R)-2,6-dimethyl-4-[2-(3-propan-2-yloxyphenoxy)ethyl]morpholine
CID 7379895
4-[2-(3-ethoxyphenoxy)ethyl]-2,6-dimethylmorpholine;oxalic acid
CID 2934905

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dimethoxyphenyl)-5-methylpyrazolidin-3-yl]-5-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]phenol?
The IUPAC name of 2-[4-(3,4-dimethoxyphenyl)-5-methylpyrazolidin-3-yl]-5-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]phenol (CID 156591805) is 2-[4-(3,4-dimethoxyphenyl)-5-methylpyrazolidin-3-yl]-5-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]phenol.
What is the SMILES notation for 2-[4-(3,4-dimethoxyphenyl)-5-methylpyrazolidin-3-yl]-5-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]phenol?
The canonical SMILES for 2-[4-(3,4-dimethoxyphenyl)-5-methylpyrazolidin-3-yl]-5-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]phenol is COc1ccc(C2C(C)NNC2c2ccc(OCCN3CC(C)OC(C)C3)cc2O)cc1OC.
What is the InChIKey of 2-[4-(3,4-dimethoxyphenyl)-5-methylpyrazolidin-3-yl]-5-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]phenol?
The InChIKey is JWWMNMBCMMMXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O5/c1-16-14-29(15-17(2)34-16)10-11-33-20-7-8-21(22(30)13-20)26-25(18(3)27-28-26)19-6-9-23(31-4)24(12-19)32-5/h6-9,12-13,16-18,25-28,30H,10-11,14-15H2,1-5H3.
What are the key properties of 2-[4-(3,4-dimethoxyphenyl)-5-methylpyrazolidin-3-yl]-5-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]phenol?
2-[4-(3,4-dimethoxyphenyl)-5-methylpyrazolidin-3-yl]-5-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]phenol has a molecular weight of 471.60 g/mol, XLogP of 3.22, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dimethoxyphenyl)-5-methylpyrazolidin-3-yl]-5-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]phenol is sourced from PubChem (CID 156591805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).