[(2S,6S)-2-cyclopropyl-6-methylmorpholin-4-yl]-(2-hydroxy-5-methylphenyl)methanone

C16H21NO3 — CID 125139796

IUPAC[(2S,6S)-2-cyclopropyl-6-methylmorpholin-4-yl]-(2-hydroxy-5-methylphenyl)methanone
SMILESCc1ccc(O)c(C(=O)N2C[C@H](C)O[C@@H](C3CC3)C2)c1
InChIInChI=1S/C16H21NO3/c1-10-3-6-14(18)13(7-10)16(19)17-8-11(2)20-15(9-17)12-4-5-12/h3,6-7,11-12,15,18H,4-5,8-9H2,1-2H3/t11-,15+/m0/s1
InChIKeyXYXYCUGSXUMYDQ-XHDPSFHLSA-N
MW275.35 g/mol
LogP2.34
Rot. Bonds2

About [(2S,6S)-2-cyclopropyl-6-methylmorpholin-4-yl]-(2-hydroxy-5-methylphenyl)methanone

[(2S,6S)-2-cyclopropyl-6-methylmorpholin-4-yl]-(2-hydroxy-5-methylphenyl)methanone (PubChem CID 125139796) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is [(2S,6S)-2-cyclopropyl-6-methylmorpholin-4-yl]-(2-hydroxy-5-methylphenyl)methanone.

Molecular Properties

Compound Name[(2S,6S)-2-cyclopropyl-6-methylmorpholin-4-yl]-(2-hydroxy-5-methylphenyl)methanone
PubChem CID125139796
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name[(2S,6S)-2-cyclopropyl-6-methylmorpholin-4-yl]-(2-hydroxy-5-methylphenyl)methanone
SMILESCc1ccc(O)c(C(=O)N2C[C@H](C)O[C@@H](C3CC3)C2)c1
InChIInChI=1S/C16H21NO3/c1-10-3-6-14(18)13(7-10)16(19)17-8-11(2)20-15(9-17)12-4-5-12/h3,6-7,11-12,15,18H,4-5,8-9H2,1-2H3/t11-,15+/m0/s1
InChIKeyXYXYCUGSXUMYDQ-XHDPSFHLSA-N
XLogP2.34
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dimethylpyrrolidin-1-yl)-(2-hydroxy-5-methylphenyl)methanone
CID 79039544
(2-bromo-5-methylphenyl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 103932969
[(3R,4R)-3,4-dihydroxypiperidin-1-yl]-(2-hydroxy-5-methylphenyl)methanone
CID 133119917
(3-chloropyrrolidin-1-yl)-(2-hydroxy-5-methylphenyl)methanone
CID 63398431
(2,5-dimethylphenyl)-(6-oxa-3-azabicyclo[3.1.0]hexan-3-yl)methanone
CID 142424231
(2-hydroxy-5-methylphenyl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 114498328
(4-chloropiperidin-1-yl)-(2-hydroxy-5-methylphenyl)methanone
CID 63390640
(3,4-dimethylpyrrolidin-1-yl)-(2-hydroxy-4-methylphenyl)methanone
CID 79039969
1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl-(2-hydroxy-5-methylphenyl)methanone
CID 102680439
(2-hydroxy-5-methylphenyl)-(4-methylazepan-1-yl)methanone
CID 62045285
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(2,5-dihydroxyphenyl)methanone
CID 107726249
(3-ethylpiperidin-1-yl)-(2-hydroxy-5-methylphenyl)methanone
CID 43430151

Frequently Asked Questions

What is the IUPAC name of [(2S,6S)-2-cyclopropyl-6-methylmorpholin-4-yl]-(2-hydroxy-5-methylphenyl)methanone?
The IUPAC name of [(2S,6S)-2-cyclopropyl-6-methylmorpholin-4-yl]-(2-hydroxy-5-methylphenyl)methanone (CID 125139796) is [(2S,6S)-2-cyclopropyl-6-methylmorpholin-4-yl]-(2-hydroxy-5-methylphenyl)methanone.
What is the SMILES notation for [(2S,6S)-2-cyclopropyl-6-methylmorpholin-4-yl]-(2-hydroxy-5-methylphenyl)methanone?
The canonical SMILES for [(2S,6S)-2-cyclopropyl-6-methylmorpholin-4-yl]-(2-hydroxy-5-methylphenyl)methanone is Cc1ccc(O)c(C(=O)N2C[C@H](C)O[C@@H](C3CC3)C2)c1.
What is the InChIKey of [(2S,6S)-2-cyclopropyl-6-methylmorpholin-4-yl]-(2-hydroxy-5-methylphenyl)methanone?
The InChIKey is XYXYCUGSXUMYDQ-XHDPSFHLSA-N. The full InChI is InChI=1S/C16H21NO3/c1-10-3-6-14(18)13(7-10)16(19)17-8-11(2)20-15(9-17)12-4-5-12/h3,6-7,11-12,15,18H,4-5,8-9H2,1-2H3/t11-,15+/m0/s1.
What are the key properties of [(2S,6S)-2-cyclopropyl-6-methylmorpholin-4-yl]-(2-hydroxy-5-methylphenyl)methanone?
[(2S,6S)-2-cyclopropyl-6-methylmorpholin-4-yl]-(2-hydroxy-5-methylphenyl)methanone has a molecular weight of 275.35 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6S)-2-cyclopropyl-6-methylmorpholin-4-yl]-(2-hydroxy-5-methylphenyl)methanone is sourced from PubChem (CID 125139796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).