1-(2,3-dimethylphenoxy)-3-[2-(3-fluorophenyl)morpholin-4-yl]propan-2-ol

C21H26FNO3 — CID 138958928

IUPAC1-(2,3-dimethylphenoxy)-3-[2-(3-fluorophenyl)morpholin-4-yl]propan-2-ol
SMILESCc1cccc(OCC(O)CN2CCOC(c3cccc(F)c3)C2)c1C
InChIInChI=1S/C21H26FNO3/c1-15-5-3-8-20(16(15)2)26-14-19(24)12-23-9-10-25-21(13-23)17-6-4-7-18(22)11-17/h3-8,11,19,21,24H,9-10,12-14H2,1-2H3
InChIKeyPKLDFLNJLSCKRC-UHFFFAOYSA-N
MW359.44 g/mol
LogP3.26
Rot. Bonds6

About 1-(2,3-dimethylphenoxy)-3-[2-(3-fluorophenyl)morpholin-4-yl]propan-2-ol

1-(2,3-dimethylphenoxy)-3-[2-(3-fluorophenyl)morpholin-4-yl]propan-2-ol (PubChem CID 138958928) has the molecular formula C21H26FNO3 and a molecular weight of 359.44 g/mol. Its IUPAC name is 1-(2,3-dimethylphenoxy)-3-[2-(3-fluorophenyl)morpholin-4-yl]propan-2-ol.

Molecular Properties

Compound Name1-(2,3-dimethylphenoxy)-3-[2-(3-fluorophenyl)morpholin-4-yl]propan-2-ol
PubChem CID138958928
Molecular FormulaC21H26FNO3
Molecular Weight359.44 g/mol
Exact Mass359.19
IUPAC Name1-(2,3-dimethylphenoxy)-3-[2-(3-fluorophenyl)morpholin-4-yl]propan-2-ol
SMILESCc1cccc(OCC(O)CN2CCOC(c3cccc(F)c3)C2)c1C
InChIInChI=1S/C21H26FNO3/c1-15-5-3-8-20(16(15)2)26-14-19(24)12-23-9-10-25-21(13-23)17-6-4-7-18(22)11-17/h3-8,11,19,21,24H,9-10,12-14H2,1-2H3
InChIKeyPKLDFLNJLSCKRC-UHFFFAOYSA-N
XLogP3.26
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.44
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-dimethylphenoxy)-3-[2-(3-fluorophenyl)morpholin-4-yl]propan-2-ol;hydrochloride
CID 138958917
1-[2-(3-fluorophenyl)morpholin-4-yl]-3-phenoxypropan-2-ol;hydrochloride
CID 138958982
1-benzhydryloxy-3-[2-(3-fluorophenyl)morpholin-4-yl]propan-2-ol
CID 138958979
1-[2-(3-bromophenyl)morpholin-4-yl]-3-(2-fluorophenoxy)propan-2-ol;hydrochloride
CID 138959987
1-[2-(3-fluorophenyl)morpholin-4-yl]-3-(1-phenylpropoxy)propan-2-ol;hydrochloride
CID 138959001
1-(2,3-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol
CID 16798644
1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-(2,5-dimethylphenoxy)propan-2-ol
CID 138959024
1-(4-fluorophenyl)-2-[2-(3-fluorophenyl)morpholin-4-yl]ethanol
CID 110928538
1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-(2-propan-2-ylphenoxy)propan-2-ol;hydrochloride
CID 138959039
1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-3-(2-methylphenoxy)propan-2-ol;hydrochloride
CID 138959744
1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-(3-methylphenoxy)propan-2-ol
CID 138959008
1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-(2,4,6-trimethylphenoxy)propan-2-ol
CID 138959020

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenoxy)-3-[2-(3-fluorophenyl)morpholin-4-yl]propan-2-ol?
The IUPAC name of 1-(2,3-dimethylphenoxy)-3-[2-(3-fluorophenyl)morpholin-4-yl]propan-2-ol (CID 138958928) is 1-(2,3-dimethylphenoxy)-3-[2-(3-fluorophenyl)morpholin-4-yl]propan-2-ol.
What is the SMILES notation for 1-(2,3-dimethylphenoxy)-3-[2-(3-fluorophenyl)morpholin-4-yl]propan-2-ol?
The canonical SMILES for 1-(2,3-dimethylphenoxy)-3-[2-(3-fluorophenyl)morpholin-4-yl]propan-2-ol is Cc1cccc(OCC(O)CN2CCOC(c3cccc(F)c3)C2)c1C.
What is the InChIKey of 1-(2,3-dimethylphenoxy)-3-[2-(3-fluorophenyl)morpholin-4-yl]propan-2-ol?
The InChIKey is PKLDFLNJLSCKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FNO3/c1-15-5-3-8-20(16(15)2)26-14-19(24)12-23-9-10-25-21(13-23)17-6-4-7-18(22)11-17/h3-8,11,19,21,24H,9-10,12-14H2,1-2H3.
What are the key properties of 1-(2,3-dimethylphenoxy)-3-[2-(3-fluorophenyl)morpholin-4-yl]propan-2-ol?
1-(2,3-dimethylphenoxy)-3-[2-(3-fluorophenyl)morpholin-4-yl]propan-2-ol has a molecular weight of 359.44 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenoxy)-3-[2-(3-fluorophenyl)morpholin-4-yl]propan-2-ol is sourced from PubChem (CID 138958928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).