2-(4-ethyl-3,5-dipropylphenyl)-3,5,5-trimethylmorpholin-2-ol

C21H35NO2 — CID 118072888

IUPAC2-(4-ethyl-3,5-dipropylphenyl)-3,5,5-trimethylmorpholin-2-ol
SMILESCCCc1cc(C2(O)OCC(C)(C)NC2C)cc(CCC)c1CC
InChIInChI=1S/C21H35NO2/c1-7-10-16-12-18(13-17(11-8-2)19(16)9-3)21(23)15(4)22-20(5,6)14-24-21/h12-13,15,22-23H,7-11,14H2,1-6H3
InChIKeyMSBOGPIZCWFLTG-UHFFFAOYSA-N
MW333.52 g/mol
LogP4.09
Rot. Bonds6

About 2-(4-ethyl-3,5-dipropylphenyl)-3,5,5-trimethylmorpholin-2-ol

2-(4-ethyl-3,5-dipropylphenyl)-3,5,5-trimethylmorpholin-2-ol (PubChem CID 118072888) has the molecular formula C21H35NO2 and a molecular weight of 333.52 g/mol. Its IUPAC name is 2-(4-ethyl-3,5-dipropylphenyl)-3,5,5-trimethylmorpholin-2-ol.

Molecular Properties

Compound Name2-(4-ethyl-3,5-dipropylphenyl)-3,5,5-trimethylmorpholin-2-ol
PubChem CID118072888
Molecular FormulaC21H35NO2
Molecular Weight333.52 g/mol
Exact Mass333.27
IUPAC Name2-(4-ethyl-3,5-dipropylphenyl)-3,5,5-trimethylmorpholin-2-ol
SMILESCCCc1cc(C2(O)OCC(C)(C)NC2C)cc(CCC)c1CC
InChIInChI=1S/C21H35NO2/c1-7-10-16-12-18(13-17(11-8-2)19(16)9-3)21(23)15(4)22-20(5,6)14-24-21/h12-13,15,22-23H,7-11,14H2,1-6H3
InChIKeyMSBOGPIZCWFLTG-UHFFFAOYSA-N
XLogP4.09
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.52
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-3,5-dipropylphenyl)-3,5,5-trimethylmorpholin-2-ol?
The IUPAC name of 2-(4-ethyl-3,5-dipropylphenyl)-3,5,5-trimethylmorpholin-2-ol (CID 118072888) is 2-(4-ethyl-3,5-dipropylphenyl)-3,5,5-trimethylmorpholin-2-ol.
What is the SMILES notation for 2-(4-ethyl-3,5-dipropylphenyl)-3,5,5-trimethylmorpholin-2-ol?
The canonical SMILES for 2-(4-ethyl-3,5-dipropylphenyl)-3,5,5-trimethylmorpholin-2-ol is CCCc1cc(C2(O)OCC(C)(C)NC2C)cc(CCC)c1CC.
What is the InChIKey of 2-(4-ethyl-3,5-dipropylphenyl)-3,5,5-trimethylmorpholin-2-ol?
The InChIKey is MSBOGPIZCWFLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35NO2/c1-7-10-16-12-18(13-17(11-8-2)19(16)9-3)21(23)15(4)22-20(5,6)14-24-21/h12-13,15,22-23H,7-11,14H2,1-6H3.
What are the key properties of 2-(4-ethyl-3,5-dipropylphenyl)-3,5,5-trimethylmorpholin-2-ol?
2-(4-ethyl-3,5-dipropylphenyl)-3,5,5-trimethylmorpholin-2-ol has a molecular weight of 333.52 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-3,5-dipropylphenyl)-3,5,5-trimethylmorpholin-2-ol is sourced from PubChem (CID 118072888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).