ethyl 3-(4-methoxyphenyl)-2-methyl-2-(4-propan-2-ylphenoxy)propanoate

C22H28O4 — CID 10522251

IUPACethyl 3-(4-methoxyphenyl)-2-methyl-2-(4-propan-2-ylphenoxy)propanoate
SMILESCCOC(=O)C(C)(Cc1ccc(OC)cc1)Oc1ccc(C(C)C)cc1
InChIInChI=1S/C22H28O4/c1-6-25-21(23)22(4,15-17-7-11-19(24-5)12-8-17)26-20-13-9-18(10-14-20)16(2)3/h7-14,16H,6,15H2,1-5H3
InChIKeyIASYJXVBBIAGCK-UHFFFAOYSA-N
MW356.46 g/mol
LogP4.76
Rot. Bonds8

About ethyl 3-(4-methoxyphenyl)-2-methyl-2-(4-propan-2-ylphenoxy)propanoate

ethyl 3-(4-methoxyphenyl)-2-methyl-2-(4-propan-2-ylphenoxy)propanoate (PubChem CID 10522251) has the molecular formula C22H28O4 and a molecular weight of 356.46 g/mol. Its IUPAC name is ethyl 3-(4-methoxyphenyl)-2-methyl-2-(4-propan-2-ylphenoxy)propanoate.

Molecular Properties

Compound Nameethyl 3-(4-methoxyphenyl)-2-methyl-2-(4-propan-2-ylphenoxy)propanoate
PubChem CID10522251
Molecular FormulaC22H28O4
Molecular Weight356.46 g/mol
Exact Mass356.20
IUPAC Nameethyl 3-(4-methoxyphenyl)-2-methyl-2-(4-propan-2-ylphenoxy)propanoate
SMILESCCOC(=O)C(C)(Cc1ccc(OC)cc1)Oc1ccc(C(C)C)cc1
InChIInChI=1S/C22H28O4/c1-6-25-21(23)22(4,15-17-7-11-19(24-5)12-8-17)26-20-13-9-18(10-14-20)16(2)3/h7-14,16H,6,15H2,1-5H3
InChIKeyIASYJXVBBIAGCK-UHFFFAOYSA-N
XLogP4.76
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(4-chlorophenyl)-2-methyl-2-(4-propan-2-ylphenoxy)propanoate
CID 10713588
2-methyl-2-(4-propan-2-ylphenoxy)-3-(4-propan-2-ylphenyl)propanoic acid
CID 10688529
ethyl 2-(4-benzoylphenoxy)-3-(4-ethylphenyl)-2-methylpropanoate
CID 10549831
ethyl 2-(4-aminophenoxy)-2-methylbutanoate
CID 59036055
3-[4-(2-aminoethoxy)phenyl]-2-methyl-2-(4-propan-2-ylphenoxy)propanoic acid
CID 18626041
diethyl 2-[(4-phenylmethoxyphenyl)methyl]-2-(4-propan-2-ylphenoxy)propanedioate
CID 18625725
ethyl 2-(3,4-difluorophenoxy)-3-(4-hydroxyphenyl)-2-methylpropanoate
CID 69319839
tert-butyl 2-methyl-2-(4-propan-2-ylphenoxy)butanoate
CID 170191000
1-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)propan-2-one
CID 62620617
ethyl 3-hydroxy-4-(4-methoxyphenyl)-3-methyl-2-propan-2-ylbutanoate
CID 63271146
ethyl 2-(4-cyclohexylphenoxy)-3-(4-hydroxyphenyl)-2-methylpropanoate
CID 69314782
1-(4-methoxyphenyl)-2-(4-propan-2-ylphenyl)ethanone
CID 62622412

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-methoxyphenyl)-2-methyl-2-(4-propan-2-ylphenoxy)propanoate?
The IUPAC name of ethyl 3-(4-methoxyphenyl)-2-methyl-2-(4-propan-2-ylphenoxy)propanoate (CID 10522251) is ethyl 3-(4-methoxyphenyl)-2-methyl-2-(4-propan-2-ylphenoxy)propanoate.
What is the SMILES notation for ethyl 3-(4-methoxyphenyl)-2-methyl-2-(4-propan-2-ylphenoxy)propanoate?
The canonical SMILES for ethyl 3-(4-methoxyphenyl)-2-methyl-2-(4-propan-2-ylphenoxy)propanoate is CCOC(=O)C(C)(Cc1ccc(OC)cc1)Oc1ccc(C(C)C)cc1.
What is the InChIKey of ethyl 3-(4-methoxyphenyl)-2-methyl-2-(4-propan-2-ylphenoxy)propanoate?
The InChIKey is IASYJXVBBIAGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O4/c1-6-25-21(23)22(4,15-17-7-11-19(24-5)12-8-17)26-20-13-9-18(10-14-20)16(2)3/h7-14,16H,6,15H2,1-5H3.
What are the key properties of ethyl 3-(4-methoxyphenyl)-2-methyl-2-(4-propan-2-ylphenoxy)propanoate?
ethyl 3-(4-methoxyphenyl)-2-methyl-2-(4-propan-2-ylphenoxy)propanoate has a molecular weight of 356.46 g/mol, XLogP of 4.76, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-methoxyphenyl)-2-methyl-2-(4-propan-2-ylphenoxy)propanoate is sourced from PubChem (CID 10522251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).