(2R)-1-[(2,5-dimethoxyphenyl)methoxy]-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol

C18H29NO5 — CID 42588329

IUPAC(2R)-1-[(2,5-dimethoxyphenyl)methoxy]-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol
SMILESCOc1ccc(OC)c(COC[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)c1
InChIInChI=1S/C18H29NO5/c1-13-8-19(9-14(2)24-13)10-16(20)12-23-11-15-7-17(21-3)5-6-18(15)22-4/h5-7,13-14,16,20H,8-12H2,1-4H3/t13-,14+,16-/m1/s1
InChIKeyYKLOLFWVOCKEAE-IJEWVQPXSA-N
MW339.43 g/mol
LogP1.69
Rot. Bonds8

About (2R)-1-[(2,5-dimethoxyphenyl)methoxy]-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol

(2R)-1-[(2,5-dimethoxyphenyl)methoxy]-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol (PubChem CID 42588329) has the molecular formula C18H29NO5 and a molecular weight of 339.43 g/mol. Its IUPAC name is (2R)-1-[(2,5-dimethoxyphenyl)methoxy]-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2,5-dimethoxyphenyl)methoxy]-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol
PubChem CID42588329
Molecular FormulaC18H29NO5
Molecular Weight339.43 g/mol
Exact Mass339.20
IUPAC Name(2R)-1-[(2,5-dimethoxyphenyl)methoxy]-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol
SMILESCOc1ccc(OC)c(COC[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)c1
InChIInChI=1S/C18H29NO5/c1-13-8-19(9-14(2)24-13)10-16(20)12-23-11-15-7-17(21-3)5-6-18(15)22-4/h5-7,13-14,16,20H,8-12H2,1-4H3/t13-,14+,16-/m1/s1
InChIKeyYKLOLFWVOCKEAE-IJEWVQPXSA-N
XLogP1.69
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.43
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-1-[(2,5-dimethoxyphenyl)methoxy]-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol with MolForge

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Related Compounds

(2R)-1-[(2,5-dimethoxyphenyl)methoxy]-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol
CID 98446984
(2S)-1-(azepan-1-yl)-3-[(2,5-dimethoxyphenyl)methoxy]propan-2-ol
CID 42588345
(2R)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[(2,5-dimethoxyphenyl)methoxy]propan-2-ol
CID 42588358
(2R)-1-(4-benzylpiperidin-1-yl)-3-[(2,5-dimethoxyphenyl)methoxy]propan-2-ol
CID 42588343
1-[(2R)-3-[(2,5-dimethoxyphenyl)methoxy]-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol
CID 42564066
1-(2,6-dimethylmorpholin-4-yl)-3-[2-(3,4-dimethylphenoxy)ethoxy]propan-2-ol
CID 18590100
1-(2,6-dimethoxyphenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 3530693
(2S)-1-[2-(4-chlorophenoxy)ethoxy]-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol
CID 7165338
(2R)-1-(1,3-benzodioxol-5-yloxy)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol
CID 878803
(2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(2-methylphenoxy)propan-2-ol
CID 7150363
(2S)-1-(2,4-dichlorophenoxy)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol
CID 7157659
1-[(2-chlorophenyl)methoxy]-3-(2-ethyl-6-methylmorpholin-4-yl)propan-2-ol
CID 111116623

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2,5-dimethoxyphenyl)methoxy]-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol?
The IUPAC name of (2R)-1-[(2,5-dimethoxyphenyl)methoxy]-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol (CID 42588329) is (2R)-1-[(2,5-dimethoxyphenyl)methoxy]-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-[(2,5-dimethoxyphenyl)methoxy]-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[(2,5-dimethoxyphenyl)methoxy]-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol is COc1ccc(OC)c(COC[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)c1.
What is the InChIKey of (2R)-1-[(2,5-dimethoxyphenyl)methoxy]-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol?
The InChIKey is YKLOLFWVOCKEAE-IJEWVQPXSA-N. The full InChI is InChI=1S/C18H29NO5/c1-13-8-19(9-14(2)24-13)10-16(20)12-23-11-15-7-17(21-3)5-6-18(15)22-4/h5-7,13-14,16,20H,8-12H2,1-4H3/t13-,14+,16-/m1/s1.
What are the key properties of (2R)-1-[(2,5-dimethoxyphenyl)methoxy]-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol?
(2R)-1-[(2,5-dimethoxyphenyl)methoxy]-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol has a molecular weight of 339.43 g/mol, XLogP of 1.69, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2,5-dimethoxyphenyl)methoxy]-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol is sourced from PubChem (CID 42588329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).