4-(6,6-dimethylmorpholin-2-yl)phenol;3-morpholin-2-ylphenol;6-morpholin-2-ylpyridin-3-ol

C31H42N4O6 — CID 158808318

IUPAC4-(6,6-dimethylmorpholin-2-yl)phenol;3-morpholin-2-ylphenol;6-morpholin-2-ylpyridin-3-ol
SMILESCC1(C)CNCC(c2ccc(O)cc2)O1.Oc1ccc(C2CNCCO2)nc1.Oc1cccc(C2CNCCO2)c1
InChIInChI=1S/C12H17NO2.C10H13NO2.C9H12N2O2/c1-12(2)8-13-7-11(15-12)9-3-5-10(14)6-4-9;12-9-3-1-2-8(6-9)10-7-11-4-5-13-10;12-7-1-2-8(11-5-7)9-6-10-3-4-13-9/h3-6,11,13-14H,7-8H2,1-2H3;1-3,6,10-12H,4-5,7H2;1-2,5,9-10,12H,3-4,6H2
InChIKeyIUJATJLHUNHZTP-UHFFFAOYSA-N
MW566.70 g/mol
LogP3.33
Rot. Bonds3

About 4-(6,6-dimethylmorpholin-2-yl)phenol;3-morpholin-2-ylphenol;6-morpholin-2-ylpyridin-3-ol

4-(6,6-dimethylmorpholin-2-yl)phenol;3-morpholin-2-ylphenol;6-morpholin-2-ylpyridin-3-ol (PubChem CID 158808318) has the molecular formula C31H42N4O6 and a molecular weight of 566.70 g/mol. Its IUPAC name is 4-(6,6-dimethylmorpholin-2-yl)phenol;3-morpholin-2-ylphenol;6-morpholin-2-ylpyridin-3-ol.

Molecular Properties

Compound Name4-(6,6-dimethylmorpholin-2-yl)phenol;3-morpholin-2-ylphenol;6-morpholin-2-ylpyridin-3-ol
PubChem CID158808318
Molecular FormulaC31H42N4O6
Molecular Weight566.70 g/mol
Exact Mass566.31
IUPAC Name4-(6,6-dimethylmorpholin-2-yl)phenol;3-morpholin-2-ylphenol;6-morpholin-2-ylpyridin-3-ol
SMILESCC1(C)CNCC(c2ccc(O)cc2)O1.Oc1ccc(C2CNCCO2)nc1.Oc1cccc(C2CNCCO2)c1
InChIInChI=1S/C12H17NO2.C10H13NO2.C9H12N2O2/c1-12(2)8-13-7-11(15-12)9-3-5-10(14)6-4-9;12-9-3-1-2-8(6-9)10-7-11-4-5-13-10;12-7-1-2-8(11-5-7)9-6-10-3-4-13-9/h3-6,11,13-14H,7-8H2,1-2H3;1-3,6,10-12H,4-5,7H2;1-2,5,9-10,12H,3-4,6H2
InChIKeyIUJATJLHUNHZTP-UHFFFAOYSA-N
XLogP3.33
TPSA137.36 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.70
LogP ≤ 53.33
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-(6,6-dimethylmorpholin-2-yl)phenol;3-morpholin-2-ylphenol;6-morpholin-2-ylpyridin-3-ol?
The IUPAC name of 4-(6,6-dimethylmorpholin-2-yl)phenol;3-morpholin-2-ylphenol;6-morpholin-2-ylpyridin-3-ol (CID 158808318) is 4-(6,6-dimethylmorpholin-2-yl)phenol;3-morpholin-2-ylphenol;6-morpholin-2-ylpyridin-3-ol.
What is the SMILES notation for 4-(6,6-dimethylmorpholin-2-yl)phenol;3-morpholin-2-ylphenol;6-morpholin-2-ylpyridin-3-ol?
The canonical SMILES for 4-(6,6-dimethylmorpholin-2-yl)phenol;3-morpholin-2-ylphenol;6-morpholin-2-ylpyridin-3-ol is CC1(C)CNCC(c2ccc(O)cc2)O1.Oc1ccc(C2CNCCO2)nc1.Oc1cccc(C2CNCCO2)c1.
What is the InChIKey of 4-(6,6-dimethylmorpholin-2-yl)phenol;3-morpholin-2-ylphenol;6-morpholin-2-ylpyridin-3-ol?
The InChIKey is IUJATJLHUNHZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2.C10H13NO2.C9H12N2O2/c1-12(2)8-13-7-11(15-12)9-3-5-10(14)6-4-9;12-9-3-1-2-8(6-9)10-7-11-4-5-13-10;12-7-1-2-8(11-5-7)9-6-10-3-4-13-9/h3-6,11,13-14H,7-8H2,1-2H3;1-3,6,10-12H,4-5,7H2;1-2,5,9-10,12H,3-4,6H2.
What are the key properties of 4-(6,6-dimethylmorpholin-2-yl)phenol;3-morpholin-2-ylphenol;6-morpholin-2-ylpyridin-3-ol?
4-(6,6-dimethylmorpholin-2-yl)phenol;3-morpholin-2-ylphenol;6-morpholin-2-ylpyridin-3-ol has a molecular weight of 566.70 g/mol, XLogP of 3.33, 3 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,6-dimethylmorpholin-2-yl)phenol;3-morpholin-2-ylphenol;6-morpholin-2-ylpyridin-3-ol is sourced from PubChem (CID 158808318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).