(2S)-1-[(2R)-2-[(4-methylphenoxy)methyl]morpholin-4-yl]-3-phenoxypropan-2-ol

C21H27NO4 — CID 92985064

IUPAC(2S)-1-[(2R)-2-[(4-methylphenoxy)methyl]morpholin-4-yl]-3-phenoxypropan-2-ol
SMILESCc1ccc(OC[C@H]2CN(C[C@H](O)COc3ccccc3)CCO2)cc1
InChIInChI=1S/C21H27NO4/c1-17-7-9-20(10-8-17)26-16-21-14-22(11-12-24-21)13-18(23)15-25-19-5-3-2-4-6-19/h2-10,18,21,23H,11-16H2,1H3/t18-,21+/m0/s1
InChIKeyCYHKHAFNZLUNJO-GHTZIAJQSA-N
MW357.45 g/mol
LogP2.51
Rot. Bonds8

About (2S)-1-[(2R)-2-[(4-methylphenoxy)methyl]morpholin-4-yl]-3-phenoxypropan-2-ol

(2S)-1-[(2R)-2-[(4-methylphenoxy)methyl]morpholin-4-yl]-3-phenoxypropan-2-ol (PubChem CID 92985064) has the molecular formula C21H27NO4 and a molecular weight of 357.45 g/mol. Its IUPAC name is (2S)-1-[(2R)-2-[(4-methylphenoxy)methyl]morpholin-4-yl]-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(2R)-2-[(4-methylphenoxy)methyl]morpholin-4-yl]-3-phenoxypropan-2-ol
PubChem CID92985064
Molecular FormulaC21H27NO4
Molecular Weight357.45 g/mol
Exact Mass357.19
IUPAC Name(2S)-1-[(2R)-2-[(4-methylphenoxy)methyl]morpholin-4-yl]-3-phenoxypropan-2-ol
SMILESCc1ccc(OC[C@H]2CN(C[C@H](O)COc3ccccc3)CCO2)cc1
InChIInChI=1S/C21H27NO4/c1-17-7-9-20(10-8-17)26-16-21-14-22(11-12-24-21)13-18(23)15-25-19-5-3-2-4-6-19/h2-10,18,21,23H,11-16H2,1H3/t18-,21+/m0/s1
InChIKeyCYHKHAFNZLUNJO-GHTZIAJQSA-N
XLogP2.51
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-1-[(2R)-2-[(4-methylphenoxy)methyl]morpholin-4-yl]-3-phenoxypropan-2-ol with MolForge

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Related Compounds

1-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]-3-propan-2-yloxypropan-2-ol
CID 42849352
4-[2-hydroxy-3-(4-methylphenoxy)propyl]morpholine-2-carbonitrile
CID 111105465
N-[[4-(2-hydroxy-3-phenoxypropyl)morpholin-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 42862250
1-[2-[(3-methylphenoxy)methyl]morpholin-4-yl]-3-propan-2-yloxypropan-2-ol
CID 42849347
1-(2-ethylmorpholin-4-yl)-3-[4-[methyl(methylsulfanyl)amino]phenoxy]propan-2-ol
CID 164906171
ethane;1-(4-methylphenoxy)-3-morpholin-4-ylpropan-2-ol
CID 144771734
4-[(2S)-3-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-2-hydroxypropoxy]benzonitrile
CID 95322904
1-[2-[(2-methylphenoxy)methyl]morpholin-4-yl]-3-(2-methylpropoxy)propan-2-ol
CID 42849357
2-[2-(phenoxymethyl)morpholin-4-yl]ethanol
CID 102567654
1-[2-[(4-propan-2-ylphenoxy)methyl]morpholin-4-yl]propan-2-ol
CID 42849335
4-[2-hydroxy-3-(2-phenylmorpholin-4-yl)propoxy]benzonitrile
CID 110885577
1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-(4-methylphenoxy)propan-2-ol
CID 138959012

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2R)-2-[(4-methylphenoxy)methyl]morpholin-4-yl]-3-phenoxypropan-2-ol?
The IUPAC name of (2S)-1-[(2R)-2-[(4-methylphenoxy)methyl]morpholin-4-yl]-3-phenoxypropan-2-ol (CID 92985064) is (2S)-1-[(2R)-2-[(4-methylphenoxy)methyl]morpholin-4-yl]-3-phenoxypropan-2-ol.
What is the SMILES notation for (2S)-1-[(2R)-2-[(4-methylphenoxy)methyl]morpholin-4-yl]-3-phenoxypropan-2-ol?
The canonical SMILES for (2S)-1-[(2R)-2-[(4-methylphenoxy)methyl]morpholin-4-yl]-3-phenoxypropan-2-ol is Cc1ccc(OC[C@H]2CN(C[C@H](O)COc3ccccc3)CCO2)cc1.
What is the InChIKey of (2S)-1-[(2R)-2-[(4-methylphenoxy)methyl]morpholin-4-yl]-3-phenoxypropan-2-ol?
The InChIKey is CYHKHAFNZLUNJO-GHTZIAJQSA-N. The full InChI is InChI=1S/C21H27NO4/c1-17-7-9-20(10-8-17)26-16-21-14-22(11-12-24-21)13-18(23)15-25-19-5-3-2-4-6-19/h2-10,18,21,23H,11-16H2,1H3/t18-,21+/m0/s1.
What are the key properties of (2S)-1-[(2R)-2-[(4-methylphenoxy)methyl]morpholin-4-yl]-3-phenoxypropan-2-ol?
(2S)-1-[(2R)-2-[(4-methylphenoxy)methyl]morpholin-4-yl]-3-phenoxypropan-2-ol has a molecular weight of 357.45 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2R)-2-[(4-methylphenoxy)methyl]morpholin-4-yl]-3-phenoxypropan-2-ol is sourced from PubChem (CID 92985064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).