1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-(3-methylphenoxy)propan-2-ol

C20H23F2NO3 — CID 138959008

IUPAC1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-(3-methylphenoxy)propan-2-ol
SMILESCc1cccc(OCC(O)CN2CCOC(c3ccc(F)c(F)c3)C2)c1
InChIInChI=1S/C20H23F2NO3/c1-14-3-2-4-17(9-14)26-13-16(24)11-23-7-8-25-20(12-23)15-5-6-18(21)19(22)10-15/h2-6,9-10,16,20,24H,7-8,11-13H2,1H3
InChIKeyXYCAGIPGGAIHEC-UHFFFAOYSA-N
MW363.40 g/mol
LogP3.09
Rot. Bonds6

About 1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-(3-methylphenoxy)propan-2-ol

1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-(3-methylphenoxy)propan-2-ol (PubChem CID 138959008) has the molecular formula C20H23F2NO3 and a molecular weight of 363.40 g/mol. Its IUPAC name is 1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-(3-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-(3-methylphenoxy)propan-2-ol
PubChem CID138959008
Molecular FormulaC20H23F2NO3
Molecular Weight363.40 g/mol
Exact Mass363.16
IUPAC Name1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-(3-methylphenoxy)propan-2-ol
SMILESCc1cccc(OCC(O)CN2CCOC(c3ccc(F)c(F)c3)C2)c1
InChIInChI=1S/C20H23F2NO3/c1-14-3-2-4-17(9-14)26-13-16(24)11-23-7-8-25-20(12-23)15-5-6-18(21)19(22)10-15/h2-6,9-10,16,20,24H,7-8,11-13H2,1H3
InChIKeyXYCAGIPGGAIHEC-UHFFFAOYSA-N
XLogP3.09
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-(2,5-dimethylphenoxy)propan-2-ol
CID 138959024
1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-(2,4,6-trimethylphenoxy)propan-2-ol
CID 138959020
1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-(2-propan-2-ylphenoxy)propan-2-ol;hydrochloride
CID 138959039
(2S)-1-(3-methylphenoxy)-3-[(2S)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]propan-2-ol
CID 129340153
1-[2-(3-fluorophenyl)morpholin-4-yl]-3-phenoxypropan-2-ol;hydrochloride
CID 138958982
1-benzhydryloxy-3-[2-(3,4-difluorophenyl)morpholin-4-yl]propan-2-ol
CID 138959078
1-cyclohexyloxy-3-[2-(3,4-difluorophenyl)morpholin-4-yl]propan-2-ol
CID 138959087
1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-(2-prop-2-enylphenoxy)propan-2-ol;hydrochloride
CID 138959090
1-(2,6-dimethylphenoxy)-3-[2-(3-fluorophenyl)morpholin-4-yl]propan-2-ol;hydrochloride
CID 138958917
(2S)-1-[4-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]piperazin-1-yl]-3-(3-methylphenoxy)propan-2-ol
CID 1119168
1-(2,3-dimethylphenoxy)-3-[2-(3-fluorophenyl)morpholin-4-yl]propan-2-ol
CID 138958928

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-(3-methylphenoxy)propan-2-ol?
The IUPAC name of 1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-(3-methylphenoxy)propan-2-ol (CID 138959008) is 1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-(3-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-(3-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-(3-methylphenoxy)propan-2-ol is Cc1cccc(OCC(O)CN2CCOC(c3ccc(F)c(F)c3)C2)c1.
What is the InChIKey of 1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-(3-methylphenoxy)propan-2-ol?
The InChIKey is XYCAGIPGGAIHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2NO3/c1-14-3-2-4-17(9-14)26-13-16(24)11-23-7-8-25-20(12-23)15-5-6-18(21)19(22)10-15/h2-6,9-10,16,20,24H,7-8,11-13H2,1H3.
What are the key properties of 1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-(3-methylphenoxy)propan-2-ol?
1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-(3-methylphenoxy)propan-2-ol has a molecular weight of 363.40 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-(3-methylphenoxy)propan-2-ol is sourced from PubChem (CID 138959008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).