(1R)-1-cyclohexyl-1-(4-ethoxyphenyl)-3-morpholin-4-ylpropan-1-ol

C21H33NO3 — CID 1114639

IUPAC(1R)-1-cyclohexyl-1-(4-ethoxyphenyl)-3-morpholin-4-ylpropan-1-ol
SMILESCCOc1ccc([C@@](O)(CCN2CCOCC2)C2CCCCC2)cc1
InChIInChI=1S/C21H33NO3/c1-2-25-20-10-8-19(9-11-20)21(23,18-6-4-3-5-7-18)12-13-22-14-16-24-17-15-22/h8-11,18,23H,2-7,12-17H2,1H3/t21-/m1/s1
InChIKeyIFNSPFFBDPMSRP-OAQYLSRUSA-N
MW347.50 g/mol
LogP3.58
Rot. Bonds7

About (1R)-1-cyclohexyl-1-(4-ethoxyphenyl)-3-morpholin-4-ylpropan-1-ol

(1R)-1-cyclohexyl-1-(4-ethoxyphenyl)-3-morpholin-4-ylpropan-1-ol (PubChem CID 1114639) has the molecular formula C21H33NO3 and a molecular weight of 347.50 g/mol. Its IUPAC name is (1R)-1-cyclohexyl-1-(4-ethoxyphenyl)-3-morpholin-4-ylpropan-1-ol.

Molecular Properties

Compound Name(1R)-1-cyclohexyl-1-(4-ethoxyphenyl)-3-morpholin-4-ylpropan-1-ol
PubChem CID1114639
Molecular FormulaC21H33NO3
Molecular Weight347.50 g/mol
Exact Mass347.25
IUPAC Name(1R)-1-cyclohexyl-1-(4-ethoxyphenyl)-3-morpholin-4-ylpropan-1-ol
SMILESCCOc1ccc([C@@](O)(CCN2CCOCC2)C2CCCCC2)cc1
InChIInChI=1S/C21H33NO3/c1-2-25-20-10-8-19(9-11-20)21(23,18-6-4-3-5-7-18)12-13-22-14-16-24-17-15-22/h8-11,18,23H,2-7,12-17H2,1H3/t21-/m1/s1
InChIKeyIFNSPFFBDPMSRP-OAQYLSRUSA-N
XLogP3.58
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-cyclohexyl-1-(4-ethoxyphenyl)-3-morpholin-4-ylpropan-1-ol?
The IUPAC name of (1R)-1-cyclohexyl-1-(4-ethoxyphenyl)-3-morpholin-4-ylpropan-1-ol (CID 1114639) is (1R)-1-cyclohexyl-1-(4-ethoxyphenyl)-3-morpholin-4-ylpropan-1-ol.
What is the SMILES notation for (1R)-1-cyclohexyl-1-(4-ethoxyphenyl)-3-morpholin-4-ylpropan-1-ol?
The canonical SMILES for (1R)-1-cyclohexyl-1-(4-ethoxyphenyl)-3-morpholin-4-ylpropan-1-ol is CCOc1ccc([C@@](O)(CCN2CCOCC2)C2CCCCC2)cc1.
What is the InChIKey of (1R)-1-cyclohexyl-1-(4-ethoxyphenyl)-3-morpholin-4-ylpropan-1-ol?
The InChIKey is IFNSPFFBDPMSRP-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H33NO3/c1-2-25-20-10-8-19(9-11-20)21(23,18-6-4-3-5-7-18)12-13-22-14-16-24-17-15-22/h8-11,18,23H,2-7,12-17H2,1H3/t21-/m1/s1.
What are the key properties of (1R)-1-cyclohexyl-1-(4-ethoxyphenyl)-3-morpholin-4-ylpropan-1-ol?
(1R)-1-cyclohexyl-1-(4-ethoxyphenyl)-3-morpholin-4-ylpropan-1-ol has a molecular weight of 347.50 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-cyclohexyl-1-(4-ethoxyphenyl)-3-morpholin-4-ylpropan-1-ol is sourced from PubChem (CID 1114639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).