3-[2-[3-methoxy-4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]morpholin-4-yl]propanoic acid;hydrochloride

C22H25ClF3NO5 — CID 67032631

IUPAC3-[2-[3-methoxy-4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]morpholin-4-yl]propanoic acid;hydrochloride
SMILESCOc1cc(C2CN(CCC(=O)O)CCO2)ccc1OCc1ccccc1C(F)(F)F.Cl
InChIInChI=1S/C22H24F3NO5.ClH/c1-29-19-12-15(20-13-26(10-11-30-20)9-8-21(27)28)6-7-18(19)31-14-16-4-2-3-5-17(16)22(23,24)25;/h2-7,12,20H,8-11,13-14H2,1H3,(H,27,28);1H
InChIKeyIGDLWBABGXTOED-UHFFFAOYSA-N
MW475.89 g/mol
LogP4.56
Rot. Bonds8

About 3-[2-[3-methoxy-4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]morpholin-4-yl]propanoic acid;hydrochloride

3-[2-[3-methoxy-4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]morpholin-4-yl]propanoic acid;hydrochloride (PubChem CID 67032631) has the molecular formula C22H25ClF3NO5 and a molecular weight of 475.89 g/mol. Its IUPAC name is 3-[2-[3-methoxy-4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]morpholin-4-yl]propanoic acid;hydrochloride.

Molecular Properties

Compound Name3-[2-[3-methoxy-4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]morpholin-4-yl]propanoic acid;hydrochloride
PubChem CID67032631
Molecular FormulaC22H25ClF3NO5
Molecular Weight475.89 g/mol
Exact Mass475.14
IUPAC Name3-[2-[3-methoxy-4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]morpholin-4-yl]propanoic acid;hydrochloride
SMILESCOc1cc(C2CN(CCC(=O)O)CCO2)ccc1OCc1ccccc1C(F)(F)F.Cl
InChIInChI=1S/C22H24F3NO5.ClH/c1-29-19-12-15(20-13-26(10-11-30-20)9-8-21(27)28)6-7-18(19)31-14-16-4-2-3-5-17(16)22(23,24)25;/h2-7,12,20H,8-11,13-14H2,1H3,(H,27,28);1H
InChIKeyIGDLWBABGXTOED-UHFFFAOYSA-N
XLogP4.56
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.89
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]morpholin-4-yl]propanoyl chloride
CID 142765936
3-[2-[4-(2-methoxyphenoxy)phenyl]morpholin-4-yl]propanoic acid;hydrochloride
CID 66653995
3-[(2S)-2-[3-[(2-chlorophenyl)methoxy]phenyl]morpholin-4-yl]propanoic acid
CID 124564162
3-[(2S)-2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]propanoic acid
CID 124704543
3-[2-[4-[[2-chloro-5-(trifluoromethyl)phenyl]methoxy]phenyl]morpholin-4-yl]propanoic acid;hydrochloride
CID 67033149
3-(2-phenylmorpholin-4-yl)propanoic acid
CID 119134654
3-[2-[4-[[2-chloro-3-(trifluoromethyl)phenyl]methoxy]phenyl]morpholin-4-yl]propanoyl chloride
CID 142766039
(2,2,2-trifluoroacetyl) 3-[2-[4-[(2,6-dichlorophenyl)methoxy]-3-(trifluoromethyl)phenyl]morpholin-4-yl]propanoate
CID 88867895
3-[2-(4-phenoxyphenyl)morpholin-4-yl]propanoic acid;hydrochloride
CID 66654044
3-[2-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]morpholin-4-yl]propanoic acid
CID 51001912
3-[2-[4-[(2-chloro-3-methylphenyl)methoxy]phenyl]morpholin-4-yl]propanoic acid
CID 67032676
3-[2-[4-(2-naphthalen-2-yloxyethoxy)phenyl]morpholin-4-yl]propanoic acid;2,2,2-trifluoroacetic acid
CID 67032568

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-methoxy-4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]morpholin-4-yl]propanoic acid;hydrochloride?
The IUPAC name of 3-[2-[3-methoxy-4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]morpholin-4-yl]propanoic acid;hydrochloride (CID 67032631) is 3-[2-[3-methoxy-4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]morpholin-4-yl]propanoic acid;hydrochloride.
What is the SMILES notation for 3-[2-[3-methoxy-4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]morpholin-4-yl]propanoic acid;hydrochloride?
The canonical SMILES for 3-[2-[3-methoxy-4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]morpholin-4-yl]propanoic acid;hydrochloride is COc1cc(C2CN(CCC(=O)O)CCO2)ccc1OCc1ccccc1C(F)(F)F.Cl.
What is the InChIKey of 3-[2-[3-methoxy-4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]morpholin-4-yl]propanoic acid;hydrochloride?
The InChIKey is IGDLWBABGXTOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3NO5.ClH/c1-29-19-12-15(20-13-26(10-11-30-20)9-8-21(27)28)6-7-18(19)31-14-16-4-2-3-5-17(16)22(23,24)25;/h2-7,12,20H,8-11,13-14H2,1H3,(H,27,28);1H.
What are the key properties of 3-[2-[3-methoxy-4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]morpholin-4-yl]propanoic acid;hydrochloride?
3-[2-[3-methoxy-4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]morpholin-4-yl]propanoic acid;hydrochloride has a molecular weight of 475.89 g/mol, XLogP of 4.56, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-methoxy-4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]morpholin-4-yl]propanoic acid;hydrochloride is sourced from PubChem (CID 67032631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).