3-[[3-(4-chlorophenoxy)phenyl]methoxy]-1,1,1-trifluoro-2-[4-(methoxymethyl)phenyl]propan-2-ol

C24H22ClF3O4 — CID 14516963

IUPAC3-[[3-(4-chlorophenoxy)phenyl]methoxy]-1,1,1-trifluoro-2-[4-(methoxymethyl)phenyl]propan-2-ol
SMILESCOCc1ccc(C(O)(COCc2cccc(Oc3ccc(Cl)cc3)c2)C(F)(F)F)cc1
InChIInChI=1S/C24H22ClF3O4/c1-30-14-17-5-7-19(8-6-17)23(29,24(26,27)28)16-31-15-18-3-2-4-22(13-18)32-21-11-9-20(25)10-12-21/h2-13,29H,14-16H2,1H3
InChIKeyFDLVEEUFBBPEMI-UHFFFAOYSA-N
MW466.88 g/mol
LogP6.25
Rot. Bonds9

About 3-[[3-(4-chlorophenoxy)phenyl]methoxy]-1,1,1-trifluoro-2-[4-(methoxymethyl)phenyl]propan-2-ol

3-[[3-(4-chlorophenoxy)phenyl]methoxy]-1,1,1-trifluoro-2-[4-(methoxymethyl)phenyl]propan-2-ol (PubChem CID 14516963) has the molecular formula C24H22ClF3O4 and a molecular weight of 466.88 g/mol. Its IUPAC name is 3-[[3-(4-chlorophenoxy)phenyl]methoxy]-1,1,1-trifluoro-2-[4-(methoxymethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name3-[[3-(4-chlorophenoxy)phenyl]methoxy]-1,1,1-trifluoro-2-[4-(methoxymethyl)phenyl]propan-2-ol
PubChem CID14516963
Molecular FormulaC24H22ClF3O4
Molecular Weight466.88 g/mol
Exact Mass466.12
IUPAC Name3-[[3-(4-chlorophenoxy)phenyl]methoxy]-1,1,1-trifluoro-2-[4-(methoxymethyl)phenyl]propan-2-ol
SMILESCOCc1ccc(C(O)(COCc2cccc(Oc3ccc(Cl)cc3)c2)C(F)(F)F)cc1
InChIInChI=1S/C24H22ClF3O4/c1-30-14-17-5-7-19(8-6-17)23(29,24(26,27)28)16-31-15-18-3-2-4-22(13-18)32-21-11-9-20(25)10-12-21/h2-13,29H,14-16H2,1H3
InChIKeyFDLVEEUFBBPEMI-UHFFFAOYSA-N
XLogP6.25
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.88
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[3-(4-chlorophenoxy)phenyl]methoxy]-1,1,1-trifluoro-2-[4-(methoxymethyl)phenyl]propan-2-ol with MolForge

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Related Compounds

1-[[3-(4-chlorophenoxy)phenyl]methoxy]-1-fluoro-2-[4-(methoxymethyl)phenyl]propan-2-ol
CID 174258672
2-(4-bromophenyl)-1,1,1-trifluoro-3-[(4-fluoro-3-phenoxyphenyl)methoxy]propan-2-ol
CID 14516951
1-methoxy-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene
CID 3067110
1-[2-chloro-1,1,1-trifluoro-3-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-(trifluoromethoxy)benzene
CID 14517006
1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-(2,2,2-trifluoroethoxy)benzene
CID 13194645
1-[1,1-difluoro-2-methyl-3-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-(trifluoromethoxy)benzene
CID 19828146
1-[3-(methoxymethyl)phenoxy]-2-methylpropan-2-ol
CID 63985540
5-[2-chloro-1,1,1-trifluoro-3-[(3-phenoxyphenyl)methoxy]propan-2-yl]-1,3-benzodioxole
CID 14517012
1-methoxy-3-(2,2,2-trifluoroethoxymethyl)benzene
CID 70661162
2-[4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]phenoxy]acetic acid
CID 19972046
2-chloro-4-[3-(methoxymethyl)phenoxy]benzenecarbothioamide
CID 63986771
2-[3-(methoxymethyl)phenoxy]-5-(trifluoromethyl)aniline
CID 63986344

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(4-chlorophenoxy)phenyl]methoxy]-1,1,1-trifluoro-2-[4-(methoxymethyl)phenyl]propan-2-ol?
The IUPAC name of 3-[[3-(4-chlorophenoxy)phenyl]methoxy]-1,1,1-trifluoro-2-[4-(methoxymethyl)phenyl]propan-2-ol (CID 14516963) is 3-[[3-(4-chlorophenoxy)phenyl]methoxy]-1,1,1-trifluoro-2-[4-(methoxymethyl)phenyl]propan-2-ol.
What is the SMILES notation for 3-[[3-(4-chlorophenoxy)phenyl]methoxy]-1,1,1-trifluoro-2-[4-(methoxymethyl)phenyl]propan-2-ol?
The canonical SMILES for 3-[[3-(4-chlorophenoxy)phenyl]methoxy]-1,1,1-trifluoro-2-[4-(methoxymethyl)phenyl]propan-2-ol is COCc1ccc(C(O)(COCc2cccc(Oc3ccc(Cl)cc3)c2)C(F)(F)F)cc1.
What is the InChIKey of 3-[[3-(4-chlorophenoxy)phenyl]methoxy]-1,1,1-trifluoro-2-[4-(methoxymethyl)phenyl]propan-2-ol?
The InChIKey is FDLVEEUFBBPEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClF3O4/c1-30-14-17-5-7-19(8-6-17)23(29,24(26,27)28)16-31-15-18-3-2-4-22(13-18)32-21-11-9-20(25)10-12-21/h2-13,29H,14-16H2,1H3.
What are the key properties of 3-[[3-(4-chlorophenoxy)phenyl]methoxy]-1,1,1-trifluoro-2-[4-(methoxymethyl)phenyl]propan-2-ol?
3-[[3-(4-chlorophenoxy)phenyl]methoxy]-1,1,1-trifluoro-2-[4-(methoxymethyl)phenyl]propan-2-ol has a molecular weight of 466.88 g/mol, XLogP of 6.25, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(4-chlorophenoxy)phenyl]methoxy]-1,1,1-trifluoro-2-[4-(methoxymethyl)phenyl]propan-2-ol is sourced from PubChem (CID 14516963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).