3-(4-ethylphenyl)-5-methyl-1-morpholin-4-yl-2-phenylhexan-3-ol

C25H35NO2 — CID 4071277

IUPAC3-(4-ethylphenyl)-5-methyl-1-morpholin-4-yl-2-phenylhexan-3-ol
SMILESCCc1ccc(C(O)(CC(C)C)C(CN2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C25H35NO2/c1-4-21-10-12-23(13-11-21)25(27,18-20(2)3)24(22-8-6-5-7-9-22)19-26-14-16-28-17-15-26/h5-13,20,24,27H,4,14-19H2,1-3H3
InChIKeyGCISWKBFDSWGRG-UHFFFAOYSA-N
MW381.56 g/mol
LogP4.60
Rot. Bonds8

About 3-(4-ethylphenyl)-5-methyl-1-morpholin-4-yl-2-phenylhexan-3-ol

3-(4-ethylphenyl)-5-methyl-1-morpholin-4-yl-2-phenylhexan-3-ol (PubChem CID 4071277) has the molecular formula C25H35NO2 and a molecular weight of 381.56 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-5-methyl-1-morpholin-4-yl-2-phenylhexan-3-ol.

Molecular Properties

Compound Name3-(4-ethylphenyl)-5-methyl-1-morpholin-4-yl-2-phenylhexan-3-ol
PubChem CID4071277
Molecular FormulaC25H35NO2
Molecular Weight381.56 g/mol
Exact Mass381.27
IUPAC Name3-(4-ethylphenyl)-5-methyl-1-morpholin-4-yl-2-phenylhexan-3-ol
SMILESCCc1ccc(C(O)(CC(C)C)C(CN2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C25H35NO2/c1-4-21-10-12-23(13-11-21)25(27,18-20(2)3)24(22-8-6-5-7-9-22)19-26-14-16-28-17-15-26/h5-13,20,24,27H,4,14-19H2,1-3H3
InChIKeyGCISWKBFDSWGRG-UHFFFAOYSA-N
XLogP4.60
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.56
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-5-methyl-1-morpholin-4-yl-2-phenylhexan-3-ol?
The IUPAC name of 3-(4-ethylphenyl)-5-methyl-1-morpholin-4-yl-2-phenylhexan-3-ol (CID 4071277) is 3-(4-ethylphenyl)-5-methyl-1-morpholin-4-yl-2-phenylhexan-3-ol.
What is the SMILES notation for 3-(4-ethylphenyl)-5-methyl-1-morpholin-4-yl-2-phenylhexan-3-ol?
The canonical SMILES for 3-(4-ethylphenyl)-5-methyl-1-morpholin-4-yl-2-phenylhexan-3-ol is CCc1ccc(C(O)(CC(C)C)C(CN2CCOCC2)c2ccccc2)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-5-methyl-1-morpholin-4-yl-2-phenylhexan-3-ol?
The InChIKey is GCISWKBFDSWGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35NO2/c1-4-21-10-12-23(13-11-21)25(27,18-20(2)3)24(22-8-6-5-7-9-22)19-26-14-16-28-17-15-26/h5-13,20,24,27H,4,14-19H2,1-3H3.
What are the key properties of 3-(4-ethylphenyl)-5-methyl-1-morpholin-4-yl-2-phenylhexan-3-ol?
3-(4-ethylphenyl)-5-methyl-1-morpholin-4-yl-2-phenylhexan-3-ol has a molecular weight of 381.56 g/mol, XLogP of 4.60, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-5-methyl-1-morpholin-4-yl-2-phenylhexan-3-ol is sourced from PubChem (CID 4071277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).