ethyl 2-(3,4-difluorophenoxy)-3-(4-hydroxyphenyl)-2-methylpropanoate

C18H18F2O4 — CID 69319839

IUPACethyl 2-(3,4-difluorophenoxy)-3-(4-hydroxyphenyl)-2-methylpropanoate
SMILESCCOC(=O)C(C)(Cc1ccc(O)cc1)Oc1ccc(F)c(F)c1
InChIInChI=1S/C18H18F2O4/c1-3-23-17(22)18(2,11-12-4-6-13(21)7-5-12)24-14-8-9-15(19)16(20)10-14/h4-10,21H,3,11H2,1-2H3
InChIKeyUQOYQXDCNPAKHP-UHFFFAOYSA-N
MW336.33 g/mol
LogP3.61
Rot. Bonds6

About ethyl 2-(3,4-difluorophenoxy)-3-(4-hydroxyphenyl)-2-methylpropanoate

ethyl 2-(3,4-difluorophenoxy)-3-(4-hydroxyphenyl)-2-methylpropanoate (PubChem CID 69319839) has the molecular formula C18H18F2O4 and a molecular weight of 336.33 g/mol. Its IUPAC name is ethyl 2-(3,4-difluorophenoxy)-3-(4-hydroxyphenyl)-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-(3,4-difluorophenoxy)-3-(4-hydroxyphenyl)-2-methylpropanoate
PubChem CID69319839
Molecular FormulaC18H18F2O4
Molecular Weight336.33 g/mol
Exact Mass336.12
IUPAC Nameethyl 2-(3,4-difluorophenoxy)-3-(4-hydroxyphenyl)-2-methylpropanoate
SMILESCCOC(=O)C(C)(Cc1ccc(O)cc1)Oc1ccc(F)c(F)c1
InChIInChI=1S/C18H18F2O4/c1-3-23-17(22)18(2,11-12-4-6-13(21)7-5-12)24-14-8-9-15(19)16(20)10-14/h4-10,21H,3,11H2,1-2H3
InChIKeyUQOYQXDCNPAKHP-UHFFFAOYSA-N
XLogP3.61
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.33
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(4-cyclohexylphenoxy)-3-(4-hydroxyphenyl)-2-methylpropanoate
CID 69314782
ethyl 2-(3-fluorophenoxy)-2-methyl-3-(4-phenylmethoxyphenyl)propanoate
CID 69353995
ethyl 3-(4-chlorophenyl)-2-methyl-2-(4-propan-2-ylphenoxy)propanoate
CID 10713588
ethyl 3-(4-methoxyphenyl)-2-methyl-2-(4-propan-2-ylphenoxy)propanoate
CID 10522251
ethyl 2-(4-benzoylphenoxy)-3-(4-ethylphenyl)-2-methylpropanoate
CID 10549831
3-ethoxy-2-[(4-hydroxyphenyl)methyl]-2-methyl-3-oxopropanoic acid
CID 103973782
ethyl 2-amino-4-(3,4-difluorophenoxy)-2-methylpentanoate
CID 64721123
4-(3,4-difluorophenoxy)-4-methylpentan-2-one
CID 82081319
ethyl 2-(4-aminophenoxy)-2-methylbutanoate
CID 59036055
ethyl (2S)-2-(3,4-difluorophenyl)-2-hydroxypropanoate
CID 94376533
2-(4-hydroxyphenoxy)-2-methyl-3-phenylpropanoic acid
CID 22261112
ethyl 2-(3,4-difluorophenyl)-2-hydroxypropanoate
CID 62215035

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,4-difluorophenoxy)-3-(4-hydroxyphenyl)-2-methylpropanoate?
The IUPAC name of ethyl 2-(3,4-difluorophenoxy)-3-(4-hydroxyphenyl)-2-methylpropanoate (CID 69319839) is ethyl 2-(3,4-difluorophenoxy)-3-(4-hydroxyphenyl)-2-methylpropanoate.
What is the SMILES notation for ethyl 2-(3,4-difluorophenoxy)-3-(4-hydroxyphenyl)-2-methylpropanoate?
The canonical SMILES for ethyl 2-(3,4-difluorophenoxy)-3-(4-hydroxyphenyl)-2-methylpropanoate is CCOC(=O)C(C)(Cc1ccc(O)cc1)Oc1ccc(F)c(F)c1.
What is the InChIKey of ethyl 2-(3,4-difluorophenoxy)-3-(4-hydroxyphenyl)-2-methylpropanoate?
The InChIKey is UQOYQXDCNPAKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2O4/c1-3-23-17(22)18(2,11-12-4-6-13(21)7-5-12)24-14-8-9-15(19)16(20)10-14/h4-10,21H,3,11H2,1-2H3.
What are the key properties of ethyl 2-(3,4-difluorophenoxy)-3-(4-hydroxyphenyl)-2-methylpropanoate?
ethyl 2-(3,4-difluorophenoxy)-3-(4-hydroxyphenyl)-2-methylpropanoate has a molecular weight of 336.33 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,4-difluorophenoxy)-3-(4-hydroxyphenyl)-2-methylpropanoate is sourced from PubChem (CID 69319839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).