propan-2-yl 2-[4-(2,4-difluorophenyl)phenoxy]-2-methylpropanoate

C19H20F2O3 — CID 24843423

IUPACpropan-2-yl 2-[4-(2,4-difluorophenyl)phenoxy]-2-methylpropanoate
SMILESCC(C)OC(=O)C(C)(C)Oc1ccc(-c2ccc(F)cc2F)cc1
InChIInChI=1S/C19H20F2O3/c1-12(2)23-18(22)19(3,4)24-15-8-5-13(6-9-15)16-10-7-14(20)11-17(16)21/h5-12H,1-4H3
InChIKeyUVTBGWQFNUSOFR-UHFFFAOYSA-N
MW334.36 g/mol
LogP4.74
Rot. Bonds5

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

propan-2-yl 2-[4-(2,4-difluorophenyl)phenoxy]-2-methylpropanoate (PubChem CID 24843423) has the molecular formula C19H20F2O3 and a molecular weight of 334.36 g/mol. Its IUPAC name is propan-2-yl 2-[4-(2,4-difluorophenyl)phenoxy]-2-methylpropanoate.

Molecular Properties

Compound Namepropan-2-yl 2-[4-(2,4-difluorophenyl)phenoxy]-2-methylpropanoate
PubChem CID24843423
Molecular FormulaC19H20F2O3
Molecular Weight334.36 g/mol
Exact Mass334.14
IUPAC Namepropan-2-yl 2-[4-(2,4-difluorophenyl)phenoxy]-2-methylpropanoate
SMILESCC(C)OC(=O)C(C)(C)Oc1ccc(-c2ccc(F)cc2F)cc1
InChIInChI=1S/C19H20F2O3/c1-12(2)23-18(22)19(3,4)24-15-8-5-13(6-9-15)16-10-7-14(20)11-17(16)21/h5-12H,1-4H3
InChIKeyUVTBGWQFNUSOFR-UHFFFAOYSA-N
XLogP4.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.36
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylpropyl 2-[4-(2,4-difluorophenyl)phenoxy]-2-methylpropanoate
CID 155887634
3-methylpentyl 2-[4-(2,4-difluorophenyl)phenoxy]-2-methylpropanoate
CID 24843427
propan-2-yl 2-methyl-2-(4-methylphenoxy)propanoate
CID 142223299
propan-2-yl 2-[4-(4-hydroxybenzoyl)phenoxy]-2-methylpropanoate
CID 23328939
propan-2-yl 2-methyl-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoate
CID 146594149
propan-2-yl 2-[4-[1-(4-chlorophenyl)-1,2-dihydroxyethyl]phenoxy]-2-methylpropanoate
CID 100926057
N-(2,4-difluorophenyl)-2-(4-fluorophenoxy)-2-methylpropanamide
CID 30854578
propan-2-yl 2-[4-(4-aminobenzoyl)phenoxy]-2-methylpropanoate
CID 145449077
1-[5-(2,4-difluorophenyl)-2-fluorophenyl]ethanone
CID 175647195
N-[4-[2-fluoro-4-(methoxymethyl)phenyl]phenyl]-2-(4-fluorophenoxy)-N,2-dimethylpropanamide
CID 164531894
5-(2,4-difluorophenyl)-2-fluorobenzoic acid
CID 53211194
1-[4-(1-bromoethyl)phenyl]-2,4-difluorobenzene
CID 21322621

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[4-(2,4-difluorophenyl)phenoxy]-2-methylpropanoate?
The IUPAC name of propan-2-yl 2-[4-(2,4-difluorophenyl)phenoxy]-2-methylpropanoate (CID 24843423) is propan-2-yl 2-[4-(2,4-difluorophenyl)phenoxy]-2-methylpropanoate.
What is the SMILES notation for propan-2-yl 2-[4-(2,4-difluorophenyl)phenoxy]-2-methylpropanoate?
The canonical SMILES for propan-2-yl 2-[4-(2,4-difluorophenyl)phenoxy]-2-methylpropanoate is CC(C)OC(=O)C(C)(C)Oc1ccc(-c2ccc(F)cc2F)cc1.
What is the InChIKey of propan-2-yl 2-[4-(2,4-difluorophenyl)phenoxy]-2-methylpropanoate?
The InChIKey is UVTBGWQFNUSOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2O3/c1-12(2)23-18(22)19(3,4)24-15-8-5-13(6-9-15)16-10-7-14(20)11-17(16)21/h5-12H,1-4H3.
What are the key properties of propan-2-yl 2-[4-(2,4-difluorophenyl)phenoxy]-2-methylpropanoate?
propan-2-yl 2-[4-(2,4-difluorophenyl)phenoxy]-2-methylpropanoate has a molecular weight of 334.36 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[4-(2,4-difluorophenyl)phenoxy]-2-methylpropanoate is sourced from PubChem (CID 24843423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).