3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol

C24H33NO2 — CID 4071267

IUPAC3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol
SMILESCCCC(O)(c1ccc(CC)cc1)C(CN1CCOCC1)c1ccccc1
InChIInChI=1S/C24H33NO2/c1-3-14-24(26,22-12-10-20(4-2)11-13-22)23(21-8-6-5-7-9-21)19-25-15-17-27-18-16-25/h5-13,23,26H,3-4,14-19H2,1-2H3
InChIKeyWYNXAOLWXKUBPB-UHFFFAOYSA-N
MW367.53 g/mol
LogP4.35
Rot. Bonds8

About 3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol

3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol (PubChem CID 4071267) has the molecular formula C24H33NO2 and a molecular weight of 367.53 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol.

Molecular Properties

Compound Name3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol
PubChem CID4071267
Molecular FormulaC24H33NO2
Molecular Weight367.53 g/mol
Exact Mass367.25
IUPAC Name3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol
SMILESCCCC(O)(c1ccc(CC)cc1)C(CN1CCOCC1)c1ccccc1
InChIInChI=1S/C24H33NO2/c1-3-14-24(26,22-12-10-20(4-2)11-13-22)23(21-8-6-5-7-9-21)19-25-15-17-27-18-16-25/h5-13,23,26H,3-4,14-19H2,1-2H3
InChIKeyWYNXAOLWXKUBPB-UHFFFAOYSA-N
XLogP4.35
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.53
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol?
The IUPAC name of 3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol (CID 4071267) is 3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol.
What is the SMILES notation for 3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol?
The canonical SMILES for 3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol is CCCC(O)(c1ccc(CC)cc1)C(CN1CCOCC1)c1ccccc1.
What is the InChIKey of 3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol?
The InChIKey is WYNXAOLWXKUBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO2/c1-3-14-24(26,22-12-10-20(4-2)11-13-22)23(21-8-6-5-7-9-21)19-25-15-17-27-18-16-25/h5-13,23,26H,3-4,14-19H2,1-2H3.
What are the key properties of 3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol?
3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol has a molecular weight of 367.53 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol is sourced from PubChem (CID 4071267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).