2-methylpropyl 2-[4-(2,4-difluorophenyl)phenoxy]-2-methylpropanoate

C20H22F2O3 — CID 155887634

IUPAC2-methylpropyl 2-[4-(2,4-difluorophenyl)phenoxy]-2-methylpropanoate
SMILESCC(C)COC(=O)C(C)(C)Oc1ccc(-c2ccc(F)cc2F)cc1
InChIInChI=1S/C20H22F2O3/c1-13(2)12-24-19(23)20(3,4)25-16-8-5-14(6-9-16)17-10-7-15(21)11-18(17)22/h5-11,13H,12H2,1-4H3
InChIKeyAMUCRUUVAGRZOA-UHFFFAOYSA-N
MW348.39 g/mol
LogP4.99
Rot. Bonds6

About 2-methylpropyl 2-[4-(2,4-difluorophenyl)phenoxy]-2-methylpropanoate

2-methylpropyl 2-[4-(2,4-difluorophenyl)phenoxy]-2-methylpropanoate (PubChem CID 155887634) has the molecular formula C20H22F2O3 and a molecular weight of 348.39 g/mol. Its IUPAC name is 2-methylpropyl 2-[4-(2,4-difluorophenyl)phenoxy]-2-methylpropanoate.

Molecular Properties

Compound Name2-methylpropyl 2-[4-(2,4-difluorophenyl)phenoxy]-2-methylpropanoate
PubChem CID155887634
Molecular FormulaC20H22F2O3
Molecular Weight348.39 g/mol
Exact Mass348.15
IUPAC Name2-methylpropyl 2-[4-(2,4-difluorophenyl)phenoxy]-2-methylpropanoate
SMILESCC(C)COC(=O)C(C)(C)Oc1ccc(-c2ccc(F)cc2F)cc1
InChIInChI=1S/C20H22F2O3/c1-13(2)12-24-19(23)20(3,4)25-16-8-5-14(6-9-16)17-10-7-15(21)11-18(17)22/h5-11,13H,12H2,1-4H3
InChIKeyAMUCRUUVAGRZOA-UHFFFAOYSA-N
XLogP4.99
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl 2-[4-(2,4-difluorophenyl)phenoxy]-2-methylpropanoate
CID 24843423
3-methylpentyl 2-[4-(2,4-difluorophenyl)phenoxy]-2-methylpropanoate
CID 24843427
3-[2-(4-fluorophenoxy)-2-methylpropanoyl]oxypropyl 2-(4-fluorophenoxy)-2-methylpropanoate
CID 70876323
[3-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxy-2-hydroxypropyl] 2-(4-chlorophenoxy)-2-methylpropanoate
CID 22768000
ethyl 2-[4-[4-(1-ethoxy-2-methyl-1-oxopropan-2-yl)oxyphenyl]phenoxy]-2-methylpropanoate
CID 3063023
2-methylpropyl 2,5-difluorobenzoate
CID 74788614
N-[4-[2-fluoro-4-(methoxymethyl)phenyl]phenyl]-2-(4-fluorophenoxy)-N,2-dimethylpropanamide
CID 164531894
N-(2,4-difluorophenyl)-2-(4-fluorophenoxy)-2-methylpropanamide
CID 30854578
4-oxopentyl 2-(4-fluorophenoxy)-2-methylpropanoate
CID 78846639
potassium 4-[4-(2,4-difluorophenyl)phenyl]-2-methyl-4-oxobutanoate
CID 23699503
CID 21154987
CID 21154987
2-(4-fluorophenoxy)-2-methylpropanehydrazide
CID 43236623

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-[4-(2,4-difluorophenyl)phenoxy]-2-methylpropanoate?
The IUPAC name of 2-methylpropyl 2-[4-(2,4-difluorophenyl)phenoxy]-2-methylpropanoate (CID 155887634) is 2-methylpropyl 2-[4-(2,4-difluorophenyl)phenoxy]-2-methylpropanoate.
What is the SMILES notation for 2-methylpropyl 2-[4-(2,4-difluorophenyl)phenoxy]-2-methylpropanoate?
The canonical SMILES for 2-methylpropyl 2-[4-(2,4-difluorophenyl)phenoxy]-2-methylpropanoate is CC(C)COC(=O)C(C)(C)Oc1ccc(-c2ccc(F)cc2F)cc1.
What is the InChIKey of 2-methylpropyl 2-[4-(2,4-difluorophenyl)phenoxy]-2-methylpropanoate?
The InChIKey is AMUCRUUVAGRZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2O3/c1-13(2)12-24-19(23)20(3,4)25-16-8-5-14(6-9-16)17-10-7-15(21)11-18(17)22/h5-11,13H,12H2,1-4H3.
What are the key properties of 2-methylpropyl 2-[4-(2,4-difluorophenyl)phenoxy]-2-methylpropanoate?
2-methylpropyl 2-[4-(2,4-difluorophenyl)phenoxy]-2-methylpropanoate has a molecular weight of 348.39 g/mol, XLogP of 4.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-[4-(2,4-difluorophenyl)phenoxy]-2-methylpropanoate is sourced from PubChem (CID 155887634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).