[(2S,3R)-3-(3,4-dimethoxyphenyl)-4-[(2-methoxy-3,5-dimethylphenyl)methyl]morpholin-2-yl]methanol

C23H31NO5 — CID 134704493

IUPAC[(2S,3R)-3-(3,4-dimethoxyphenyl)-4-[(2-methoxy-3,5-dimethylphenyl)methyl]morpholin-2-yl]methanol
SMILESCOc1ccc([C@@H]2[C@@H](CO)OCCN2Cc2cc(C)cc(C)c2OC)cc1OC
InChIInChI=1S/C23H31NO5/c1-15-10-16(2)23(28-5)18(11-15)13-24-8-9-29-21(14-25)22(24)17-6-7-19(26-3)20(12-17)27-4/h6-7,10-12,21-22,25H,8-9,13-14H2,1-5H3/t21-,22-/m1/s1
InChIKeyWHQHIBUQPGRHEC-FGZHOGPDSA-N
MW401.50 g/mol
LogP3.26
Rot. Bonds7

About [(2S,3R)-3-(3,4-dimethoxyphenyl)-4-[(2-methoxy-3,5-dimethylphenyl)methyl]morpholin-2-yl]methanol

[(2S,3R)-3-(3,4-dimethoxyphenyl)-4-[(2-methoxy-3,5-dimethylphenyl)methyl]morpholin-2-yl]methanol (PubChem CID 134704493) has the molecular formula C23H31NO5 and a molecular weight of 401.50 g/mol. Its IUPAC name is [(2S,3R)-3-(3,4-dimethoxyphenyl)-4-[(2-methoxy-3,5-dimethylphenyl)methyl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3R)-3-(3,4-dimethoxyphenyl)-4-[(2-methoxy-3,5-dimethylphenyl)methyl]morpholin-2-yl]methanol
PubChem CID134704493
Molecular FormulaC23H31NO5
Molecular Weight401.50 g/mol
Exact Mass401.22
IUPAC Name[(2S,3R)-3-(3,4-dimethoxyphenyl)-4-[(2-methoxy-3,5-dimethylphenyl)methyl]morpholin-2-yl]methanol
SMILESCOc1ccc([C@@H]2[C@@H](CO)OCCN2Cc2cc(C)cc(C)c2OC)cc1OC
InChIInChI=1S/C23H31NO5/c1-15-10-16(2)23(28-5)18(11-15)13-24-8-9-29-21(14-25)22(24)17-6-7-19(26-3)20(12-17)27-4/h6-7,10-12,21-22,25H,8-9,13-14H2,1-5H3/t21-,22-/m1/s1
InChIKeyWHQHIBUQPGRHEC-FGZHOGPDSA-N
XLogP3.26
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.50
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2S,3R)-3-(3,4-dimethoxyphenyl)-4-[(2-methoxy-3,5-dimethylphenyl)methyl]morpholin-2-yl]methanol with MolForge

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Related Compounds

5-[[(2S,3R)-3-(3,4-dimethoxyphenyl)-2-(hydroxymethyl)morpholin-4-yl]methyl]-2-methoxybenzoic acid
CID 135102230
[(2S,3R)-3-(3,4-dimethoxyphenyl)-4-(3-methylbutyl)morpholin-2-yl]methanol
CID 134706396
[(2S,3R)-3-(3,4-dimethoxyphenyl)-4-(thiophen-3-ylmethyl)morpholin-2-yl]methanol
CID 134712814
[(2R,3S)-3-(3,4-dimethoxyphenyl)-4-[(6-methoxy-2-pyridinyl)methyl]morpholin-2-yl]methanol
CID 155918000
[(2S,3R)-4-[(2-chloro-6-fluorophenyl)methyl]-3-(3,4-dimethoxyphenyl)morpholin-2-yl]methanol
CID 134709535
[(2S,3R)-4-[(2-chloro-3,4-dimethoxyphenyl)methyl]-3-phenylmorpholin-2-yl]methanol
CID 134706044
[(2S,3R)-3-(3,4-dimethoxyphenyl)-4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]morpholin-2-yl]methanol
CID 134704678
cyclopentyl-[(2S,3R)-3-(3,4-dimethoxyphenyl)-2-(hydroxymethyl)morpholin-4-yl]methanone
CID 134712153
[(2S,3R)-3-(3,4-dimethoxyphenyl)-2-(hydroxymethyl)morpholin-4-yl]-(5,6-dimethyl-3-pyridinyl)methanone
CID 134706949
1-[(2S,3R)-3-(3,4-dimethoxyphenyl)-2-(hydroxymethyl)morpholin-4-yl]-2-phenylethanone
CID 134697404
1-[(2S,3R)-3-(3,4-dimethoxyphenyl)-2-(hydroxymethyl)morpholin-4-yl]-2-propan-2-ylsulfanylethanone
CID 134711707
[(2S,3R)-3-(3,4-dimethoxyphenyl)-2-(hydroxymethyl)morpholin-4-yl]-(1,5-dimethylindol-2-yl)methanone
CID 134712019

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-3-(3,4-dimethoxyphenyl)-4-[(2-methoxy-3,5-dimethylphenyl)methyl]morpholin-2-yl]methanol?
The IUPAC name of [(2S,3R)-3-(3,4-dimethoxyphenyl)-4-[(2-methoxy-3,5-dimethylphenyl)methyl]morpholin-2-yl]methanol (CID 134704493) is [(2S,3R)-3-(3,4-dimethoxyphenyl)-4-[(2-methoxy-3,5-dimethylphenyl)methyl]morpholin-2-yl]methanol.
What is the SMILES notation for [(2S,3R)-3-(3,4-dimethoxyphenyl)-4-[(2-methoxy-3,5-dimethylphenyl)methyl]morpholin-2-yl]methanol?
The canonical SMILES for [(2S,3R)-3-(3,4-dimethoxyphenyl)-4-[(2-methoxy-3,5-dimethylphenyl)methyl]morpholin-2-yl]methanol is COc1ccc([C@@H]2[C@@H](CO)OCCN2Cc2cc(C)cc(C)c2OC)cc1OC.
What is the InChIKey of [(2S,3R)-3-(3,4-dimethoxyphenyl)-4-[(2-methoxy-3,5-dimethylphenyl)methyl]morpholin-2-yl]methanol?
The InChIKey is WHQHIBUQPGRHEC-FGZHOGPDSA-N. The full InChI is InChI=1S/C23H31NO5/c1-15-10-16(2)23(28-5)18(11-15)13-24-8-9-29-21(14-25)22(24)17-6-7-19(26-3)20(12-17)27-4/h6-7,10-12,21-22,25H,8-9,13-14H2,1-5H3/t21-,22-/m1/s1.
What are the key properties of [(2S,3R)-3-(3,4-dimethoxyphenyl)-4-[(2-methoxy-3,5-dimethylphenyl)methyl]morpholin-2-yl]methanol?
[(2S,3R)-3-(3,4-dimethoxyphenyl)-4-[(2-methoxy-3,5-dimethylphenyl)methyl]morpholin-2-yl]methanol has a molecular weight of 401.50 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-3-(3,4-dimethoxyphenyl)-4-[(2-methoxy-3,5-dimethylphenyl)methyl]morpholin-2-yl]methanol is sourced from PubChem (CID 134704493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).