1-(4-ethoxyphenyl)-1-(2-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol

C28H33NO4 — CID 23605680

IUPAC1-(4-ethoxyphenyl)-1-(2-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol
SMILESCCOc1ccc(C(O)(c2ccccc2OC)C(CN2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C28H33NO4/c1-3-33-24-15-13-23(14-16-24)28(30,25-11-7-8-12-27(25)31-2)26(22-9-5-4-6-10-22)21-29-17-19-32-20-18-29/h4-16,26,30H,3,17-21H2,1-2H3
InChIKeySJWUHMNAKMLBIW-UHFFFAOYSA-N
MW447.58 g/mol
LogP4.45
Rot. Bonds9

About 1-(4-ethoxyphenyl)-1-(2-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol

1-(4-ethoxyphenyl)-1-(2-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol (PubChem CID 23605680) has the molecular formula C28H33NO4 and a molecular weight of 447.58 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-1-(2-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-1-(2-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol
PubChem CID23605680
Molecular FormulaC28H33NO4
Molecular Weight447.58 g/mol
Exact Mass447.24
IUPAC Name1-(4-ethoxyphenyl)-1-(2-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol
SMILESCCOc1ccc(C(O)(c2ccccc2OC)C(CN2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C28H33NO4/c1-3-33-24-15-13-23(14-16-24)28(30,25-11-7-8-12-27(25)31-2)26(22-9-5-4-6-10-22)21-29-17-19-32-20-18-29/h4-16,26,30H,3,17-21H2,1-2H3
InChIKeySJWUHMNAKMLBIW-UHFFFAOYSA-N
XLogP4.45
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-1-(2-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol?
The IUPAC name of 1-(4-ethoxyphenyl)-1-(2-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol (CID 23605680) is 1-(4-ethoxyphenyl)-1-(2-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol.
What is the SMILES notation for 1-(4-ethoxyphenyl)-1-(2-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol?
The canonical SMILES for 1-(4-ethoxyphenyl)-1-(2-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol is CCOc1ccc(C(O)(c2ccccc2OC)C(CN2CCOCC2)c2ccccc2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-1-(2-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol?
The InChIKey is SJWUHMNAKMLBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33NO4/c1-3-33-24-15-13-23(14-16-24)28(30,25-11-7-8-12-27(25)31-2)26(22-9-5-4-6-10-22)21-29-17-19-32-20-18-29/h4-16,26,30H,3,17-21H2,1-2H3.
What are the key properties of 1-(4-ethoxyphenyl)-1-(2-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol?
1-(4-ethoxyphenyl)-1-(2-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol has a molecular weight of 447.58 g/mol, XLogP of 4.45, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-1-(2-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol is sourced from PubChem (CID 23605680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).