methyl (2R)-2-(2,4-dichlorophenyl)-4-(4-fluorophenoxy)butanoate

C17H15Cl2FO3 — CID 125465781

IUPACmethyl (2R)-2-(2,4-dichlorophenyl)-4-(4-fluorophenoxy)butanoate
SMILESCOC(=O)[C@H](CCOc1ccc(F)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H15Cl2FO3/c1-22-17(21)15(14-7-2-11(18)10-16(14)19)8-9-23-13-5-3-12(20)4-6-13/h2-7,10,15H,8-9H2,1H3/t15-/m1/s1
InChIKeyWNBDRAIFXHJCFF-OAHLLOKOSA-N
MW357.21 g/mol
LogP4.86
Rot. Bonds6

About methyl (2R)-2-(2,4-dichlorophenyl)-4-(4-fluorophenoxy)butanoate

methyl (2R)-2-(2,4-dichlorophenyl)-4-(4-fluorophenoxy)butanoate (PubChem CID 125465781) has the molecular formula C17H15Cl2FO3 and a molecular weight of 357.21 g/mol. Its IUPAC name is methyl (2R)-2-(2,4-dichlorophenyl)-4-(4-fluorophenoxy)butanoate.

Molecular Properties

Compound Namemethyl (2R)-2-(2,4-dichlorophenyl)-4-(4-fluorophenoxy)butanoate
PubChem CID125465781
Molecular FormulaC17H15Cl2FO3
Molecular Weight357.21 g/mol
Exact Mass356.04
IUPAC Namemethyl (2R)-2-(2,4-dichlorophenyl)-4-(4-fluorophenoxy)butanoate
SMILESCOC(=O)[C@H](CCOc1ccc(F)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H15Cl2FO3/c1-22-17(21)15(14-7-2-11(18)10-16(14)19)8-9-23-13-5-3-12(20)4-6-13/h2-7,10,15H,8-9H2,1H3/t15-/m1/s1
InChIKeyWNBDRAIFXHJCFF-OAHLLOKOSA-N
XLogP4.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.21
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-(2,4-dichlorophenyl)-5-(4-fluorophenoxy)pentanoate
CID 125465726
methyl (2S)-4-(2-chlorophenyl)-2-(2,4-dichlorophenyl)butanoate
CID 125465921
methyl 2-(2,4-dichlorophenyl)-5-(2,4,6-tribromophenoxy)pentanoate
CID 23315409
methyl 2-(2,4-dichlorophenyl)pent-4-enoate
CID 21499630
methyl 2-amino-4-(2,5-difluorophenoxy)butanoate
CID 63273139
methyl 3-(4-chlorophenoxy)-2-(3-fluorophenyl)propanoate
CID 117243472
2-(2,4-dichlorophenyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide
CID 55431133
methyl 3-(4-fluorophenoxy)-2-(2-hydroxyphenyl)propanoate
CID 117244434
(2S)-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]propanamide
CID 51556512
(2R)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]propanamide
CID 51556510
methyl 2-(2-bromo-4-fluorophenyl)-5-chloropentanoate
CID 67067425
methyl 4-(2,5-difluorophenoxy)-2-(methylamino)butanoate
CID 63269811

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(2,4-dichlorophenyl)-4-(4-fluorophenoxy)butanoate?
The IUPAC name of methyl (2R)-2-(2,4-dichlorophenyl)-4-(4-fluorophenoxy)butanoate (CID 125465781) is methyl (2R)-2-(2,4-dichlorophenyl)-4-(4-fluorophenoxy)butanoate.
What is the SMILES notation for methyl (2R)-2-(2,4-dichlorophenyl)-4-(4-fluorophenoxy)butanoate?
The canonical SMILES for methyl (2R)-2-(2,4-dichlorophenyl)-4-(4-fluorophenoxy)butanoate is COC(=O)[C@H](CCOc1ccc(F)cc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of methyl (2R)-2-(2,4-dichlorophenyl)-4-(4-fluorophenoxy)butanoate?
The InChIKey is WNBDRAIFXHJCFF-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H15Cl2FO3/c1-22-17(21)15(14-7-2-11(18)10-16(14)19)8-9-23-13-5-3-12(20)4-6-13/h2-7,10,15H,8-9H2,1H3/t15-/m1/s1.
What are the key properties of methyl (2R)-2-(2,4-dichlorophenyl)-4-(4-fluorophenoxy)butanoate?
methyl (2R)-2-(2,4-dichlorophenyl)-4-(4-fluorophenoxy)butanoate has a molecular weight of 357.21 g/mol, XLogP of 4.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(2,4-dichlorophenyl)-4-(4-fluorophenoxy)butanoate is sourced from PubChem (CID 125465781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).