(2R)-2-[(R)-hydroxy-(4-methoxyphenyl)methyl]-4-methylmorpholin-3-one

C13H17NO4 — CID 95989438

IUPAC(2R)-2-[(R)-hydroxy-(4-methoxyphenyl)methyl]-4-methylmorpholin-3-one
SMILESCOc1ccc([C@@H](O)[C@H]2OCCN(C)C2=O)cc1
InChIInChI=1S/C13H17NO4/c1-14-7-8-18-12(13(14)16)11(15)9-3-5-10(17-2)6-4-9/h3-6,11-12,15H,7-8H2,1-2H3/t11-,12-/m1/s1
InChIKeyARTZVPOMKOLBDV-VXGBXAGGSA-N
MW251.28 g/mol
LogP0.59
Rot. Bonds3

About (2R)-2-[(R)-hydroxy-(4-methoxyphenyl)methyl]-4-methylmorpholin-3-one

(2R)-2-[(R)-hydroxy-(4-methoxyphenyl)methyl]-4-methylmorpholin-3-one (PubChem CID 95989438) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is (2R)-2-[(R)-hydroxy-(4-methoxyphenyl)methyl]-4-methylmorpholin-3-one.

Molecular Properties

Compound Name(2R)-2-[(R)-hydroxy-(4-methoxyphenyl)methyl]-4-methylmorpholin-3-one
PubChem CID95989438
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name(2R)-2-[(R)-hydroxy-(4-methoxyphenyl)methyl]-4-methylmorpholin-3-one
SMILESCOc1ccc([C@@H](O)[C@H]2OCCN(C)C2=O)cc1
InChIInChI=1S/C13H17NO4/c1-14-7-8-18-12(13(14)16)11(15)9-3-5-10(17-2)6-4-9/h3-6,11-12,15H,7-8H2,1-2H3/t11-,12-/m1/s1
InChIKeyARTZVPOMKOLBDV-VXGBXAGGSA-N
XLogP0.59
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(S)-[(1R,3R)-1,3-dioxo-1,3-dithiolan-2-yl]-(4-methoxyphenyl)methanol
CID 10754804
3-[hydroxy-(4-methoxyphenyl)methyl]-3H-2-benzofuran-1-one
CID 3261908
(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylacetamide
CID 92642329
(5S)-5-[(R)-hydroxy-(4-methoxyphenyl)methyl]oxolan-2-one
CID 132579136
4-benzyl-2-[hydroxy(phenyl)methyl]morpholin-3-one;ethane
CID 142864924
(2R)-1,1-bis(4-methoxyphenyl)propan-2-ol
CID 91746525
(3S)-3-[(R)-hydroxy-(4-methoxyphenyl)methyl]thian-4-one
CID 101382556
(4-methoxyphenyl)-(4-methylmorpholin-2-yl)methanamine
CID 79093138
(3R)-3-[[(R)-(4-methoxyphenyl)-(4-methylphenyl)methyl]amino]-1-methylpyrrolidin-2-one
CID 96567992
4-[2-amino-1-(4-methoxyphenyl)propyl]-1-methylpiperazin-2-one
CID 64681747
4-[(4-methoxyphenyl)-morpholin-4-ylmethyl]morpholine
CID 609793
(4-methoxyphenyl)-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanol
CID 54146924

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(R)-hydroxy-(4-methoxyphenyl)methyl]-4-methylmorpholin-3-one?
The IUPAC name of (2R)-2-[(R)-hydroxy-(4-methoxyphenyl)methyl]-4-methylmorpholin-3-one (CID 95989438) is (2R)-2-[(R)-hydroxy-(4-methoxyphenyl)methyl]-4-methylmorpholin-3-one.
What is the SMILES notation for (2R)-2-[(R)-hydroxy-(4-methoxyphenyl)methyl]-4-methylmorpholin-3-one?
The canonical SMILES for (2R)-2-[(R)-hydroxy-(4-methoxyphenyl)methyl]-4-methylmorpholin-3-one is COc1ccc([C@@H](O)[C@H]2OCCN(C)C2=O)cc1.
What is the InChIKey of (2R)-2-[(R)-hydroxy-(4-methoxyphenyl)methyl]-4-methylmorpholin-3-one?
The InChIKey is ARTZVPOMKOLBDV-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H17NO4/c1-14-7-8-18-12(13(14)16)11(15)9-3-5-10(17-2)6-4-9/h3-6,11-12,15H,7-8H2,1-2H3/t11-,12-/m1/s1.
What are the key properties of (2R)-2-[(R)-hydroxy-(4-methoxyphenyl)methyl]-4-methylmorpholin-3-one?
(2R)-2-[(R)-hydroxy-(4-methoxyphenyl)methyl]-4-methylmorpholin-3-one has a molecular weight of 251.28 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(R)-hydroxy-(4-methoxyphenyl)methyl]-4-methylmorpholin-3-one is sourced from PubChem (CID 95989438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).