(1S,2R)-1-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol

C27H31NO4 — CID 28949408

IUPAC(1S,2R)-1-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol
SMILESCOc1ccc([C@](O)(c2ccccc2OC)[C@@H](CN2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C27H31NO4/c1-30-23-14-12-22(13-15-23)27(29,24-10-6-7-11-26(24)31-2)25(21-8-4-3-5-9-21)20-28-16-18-32-19-17-28/h3-15,25,29H,16-20H2,1-2H3/t25-,27-/m0/s1
InChIKeyVARZVSBFQFXSMO-BDYUSTAISA-N
MW433.55 g/mol
LogP4.06
Rot. Bonds8

About (1S,2R)-1-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol

(1S,2R)-1-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol (PubChem CID 28949408) has the molecular formula C27H31NO4 and a molecular weight of 433.55 g/mol. Its IUPAC name is (1S,2R)-1-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol.

Molecular Properties

Compound Name(1S,2R)-1-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol
PubChem CID28949408
Molecular FormulaC27H31NO4
Molecular Weight433.55 g/mol
Exact Mass433.23
IUPAC Name(1S,2R)-1-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol
SMILESCOc1ccc([C@](O)(c2ccccc2OC)[C@@H](CN2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C27H31NO4/c1-30-23-14-12-22(13-15-23)27(29,24-10-6-7-11-26(24)31-2)25(21-8-4-3-5-9-21)20-28-16-18-32-19-17-28/h3-15,25,29H,16-20H2,1-2H3/t25-,27-/m0/s1
InChIKeyVARZVSBFQFXSMO-BDYUSTAISA-N
XLogP4.06
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-hydroxy-1-(2-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropyl]phenol
CID 45106438
1-(4-ethoxyphenyl)-1-(2-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol
CID 23605680
1-(4-fluorophenyl)-1-(2-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol;hydrochloride
CID 146052061
(1R,2S)-1-(2-methoxyphenyl)-1-[4-(3-methylbutoxy)phenyl]-3-morpholin-4-yl-2-phenylpropan-1-ol
CID 34568197
(1R,2S)-2-(4-chlorophenyl)-1-(4-ethoxyphenyl)-1-(2-methoxyphenyl)-3-morpholin-4-ylpropan-1-ol
CID 29184655
2-(4-chlorophenyl)-1-(4-ethylphenyl)-1-(2-methoxyphenyl)-3-morpholin-4-ylpropan-1-ol
CID 23606863
(1S,2R)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol
CID 28952661
(2R,3R)-3-(4-methoxyphenyl)-1-morpholin-4-yl-2-phenylpentan-3-ol
CID 28949321
(2S,3S)-2-(4-methoxyphenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol
CID 28949170
3-morpholin-4-yl-1,1,2-triphenylpropan-1-ol
CID 6620503
2-(4-methoxyphenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol;hydrochloride
CID 146051967
(1S,2R)-1-cyclohexyl-1-(4-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol
CID 28949434

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol?
The IUPAC name of (1S,2R)-1-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol (CID 28949408) is (1S,2R)-1-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol.
What is the SMILES notation for (1S,2R)-1-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol?
The canonical SMILES for (1S,2R)-1-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol is COc1ccc([C@](O)(c2ccccc2OC)[C@@H](CN2CCOCC2)c2ccccc2)cc1.
What is the InChIKey of (1S,2R)-1-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol?
The InChIKey is VARZVSBFQFXSMO-BDYUSTAISA-N. The full InChI is InChI=1S/C27H31NO4/c1-30-23-14-12-22(13-15-23)27(29,24-10-6-7-11-26(24)31-2)25(21-8-4-3-5-9-21)20-28-16-18-32-19-17-28/h3-15,25,29H,16-20H2,1-2H3/t25-,27-/m0/s1.
What are the key properties of (1S,2R)-1-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol?
(1S,2R)-1-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol has a molecular weight of 433.55 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol is sourced from PubChem (CID 28949408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).