(2R)-1-[(2S)-2-[(2-fluoro-5-methylphenoxy)methyl]morpholin-4-yl]-3-methoxypropan-2-ol

C16H24FNO4 — CID 98735681

IUPAC(2R)-1-[(2S)-2-[(2-fluoro-5-methylphenoxy)methyl]morpholin-4-yl]-3-methoxypropan-2-ol
SMILESCOC[C@H](O)CN1CCO[C@H](COc2cc(C)ccc2F)C1
InChIInChI=1S/C16H24FNO4/c1-12-3-4-15(17)16(7-12)22-11-14-9-18(5-6-21-14)8-13(19)10-20-2/h3-4,7,13-14,19H,5-6,8-11H2,1-2H3/t13-,14+/m1/s1
InChIKeyJSUCPTDULDRFCM-KGLIPLIRSA-N
MW313.37 g/mol
LogP1.22
Rot. Bonds7

About (2R)-1-[(2S)-2-[(2-fluoro-5-methylphenoxy)methyl]morpholin-4-yl]-3-methoxypropan-2-ol

(2R)-1-[(2S)-2-[(2-fluoro-5-methylphenoxy)methyl]morpholin-4-yl]-3-methoxypropan-2-ol (PubChem CID 98735681) has the molecular formula C16H24FNO4 and a molecular weight of 313.37 g/mol. Its IUPAC name is (2R)-1-[(2S)-2-[(2-fluoro-5-methylphenoxy)methyl]morpholin-4-yl]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2S)-2-[(2-fluoro-5-methylphenoxy)methyl]morpholin-4-yl]-3-methoxypropan-2-ol
PubChem CID98735681
Molecular FormulaC16H24FNO4
Molecular Weight313.37 g/mol
Exact Mass313.17
IUPAC Name(2R)-1-[(2S)-2-[(2-fluoro-5-methylphenoxy)methyl]morpholin-4-yl]-3-methoxypropan-2-ol
SMILESCOC[C@H](O)CN1CCO[C@H](COc2cc(C)ccc2F)C1
InChIInChI=1S/C16H24FNO4/c1-12-3-4-15(17)16(7-12)22-11-14-9-18(5-6-21-14)8-13(19)10-20-2/h3-4,7,13-14,19H,5-6,8-11H2,1-2H3/t13-,14+/m1/s1
InChIKeyJSUCPTDULDRFCM-KGLIPLIRSA-N
XLogP1.22
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-1-[(2S)-2-[(2-fluoro-5-methylphenoxy)methyl]morpholin-4-yl]-3-methoxypropan-2-ol with MolForge

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Related Compounds

2-[(2-fluoro-5-methylphenoxy)methyl]-4-propan-2-ylmorpholine
CID 64854529
1-[2-(2,4-dimethylphenyl)morpholin-4-yl]-3-methoxypropan-2-ol
CID 71869593
1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-(2,5-dimethylphenoxy)propan-2-ol
CID 138959024
(2S)-1-[(2R)-2-[(4-methylphenoxy)methyl]morpholin-4-yl]-3-phenoxypropan-2-ol
CID 92985064
1-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]-3-propan-2-yloxypropan-2-ol
CID 42849352
1-[2-[(3-methylphenoxy)methyl]morpholin-4-yl]-3-propan-2-yloxypropan-2-ol
CID 42849347
1-[2-[(2-methylphenoxy)methyl]morpholin-4-yl]-3-(2-methylpropoxy)propan-2-ol
CID 42849357
4-[(2,6-difluorophenyl)methyl]-2-[(2-methoxy-4-methylphenoxy)methyl]morpholine
CID 46041207
1-[2-[(2-methylphenoxy)methyl]morpholin-4-yl]-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
CID 46059444
1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-(4-methylphenoxy)propan-2-ol
CID 138959012
1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-(2,4,6-trimethylphenoxy)propan-2-ol
CID 138959020
1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-3-(2,3,5-trimethylphenoxy)propan-2-ol;hydrochloride
CID 138959756

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2S)-2-[(2-fluoro-5-methylphenoxy)methyl]morpholin-4-yl]-3-methoxypropan-2-ol?
The IUPAC name of (2R)-1-[(2S)-2-[(2-fluoro-5-methylphenoxy)methyl]morpholin-4-yl]-3-methoxypropan-2-ol (CID 98735681) is (2R)-1-[(2S)-2-[(2-fluoro-5-methylphenoxy)methyl]morpholin-4-yl]-3-methoxypropan-2-ol.
What is the SMILES notation for (2R)-1-[(2S)-2-[(2-fluoro-5-methylphenoxy)methyl]morpholin-4-yl]-3-methoxypropan-2-ol?
The canonical SMILES for (2R)-1-[(2S)-2-[(2-fluoro-5-methylphenoxy)methyl]morpholin-4-yl]-3-methoxypropan-2-ol is COC[C@H](O)CN1CCO[C@H](COc2cc(C)ccc2F)C1.
What is the InChIKey of (2R)-1-[(2S)-2-[(2-fluoro-5-methylphenoxy)methyl]morpholin-4-yl]-3-methoxypropan-2-ol?
The InChIKey is JSUCPTDULDRFCM-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H24FNO4/c1-12-3-4-15(17)16(7-12)22-11-14-9-18(5-6-21-14)8-13(19)10-20-2/h3-4,7,13-14,19H,5-6,8-11H2,1-2H3/t13-,14+/m1/s1.
What are the key properties of (2R)-1-[(2S)-2-[(2-fluoro-5-methylphenoxy)methyl]morpholin-4-yl]-3-methoxypropan-2-ol?
(2R)-1-[(2S)-2-[(2-fluoro-5-methylphenoxy)methyl]morpholin-4-yl]-3-methoxypropan-2-ol has a molecular weight of 313.37 g/mol, XLogP of 1.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2S)-2-[(2-fluoro-5-methylphenoxy)methyl]morpholin-4-yl]-3-methoxypropan-2-ol is sourced from PubChem (CID 98735681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).