methyl 2-(2-tert-butyl-4-ethylphenoxy)acetate

C15H22O3 — CID 28905814

IUPACmethyl 2-(2-tert-butyl-4-ethylphenoxy)acetate
SMILESCCc1ccc(OCC(=O)OC)c(C(C)(C)C)c1
InChIInChI=1S/C15H22O3/c1-6-11-7-8-13(18-10-14(16)17-5)12(9-11)15(2,3)4/h7-9H,6,10H2,1-5H3
InChIKeyRFQSXEQENDAZSK-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.10
Rot. Bonds4

About methyl 2-(2-tert-butyl-4-ethylphenoxy)acetate

methyl 2-(2-tert-butyl-4-ethylphenoxy)acetate (PubChem CID 28905814) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is methyl 2-(2-tert-butyl-4-ethylphenoxy)acetate.

Molecular Properties

Compound Namemethyl 2-(2-tert-butyl-4-ethylphenoxy)acetate
PubChem CID28905814
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Namemethyl 2-(2-tert-butyl-4-ethylphenoxy)acetate
SMILESCCc1ccc(OCC(=O)OC)c(C(C)(C)C)c1
InChIInChI=1S/C15H22O3/c1-6-11-7-8-13(18-10-14(16)17-5)12(9-11)15(2,3)4/h7-9H,6,10H2,1-5H3
InChIKeyRFQSXEQENDAZSK-UHFFFAOYSA-N
XLogP3.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-tert-butyl-4-ethylphenoxy)-3-methylbut-2-enoic acid
CID 77005489
3-[[2-(2-tert-butyl-4-ethylphenoxy)acetyl]amino]propanoic acid
CID 9157815
3-(2-tert-butyl-4-ethylphenoxy)-2-methyl-2-(methylamino)propan-1-ol
CID 64804713
tert-butyl 2-(4-ethyl-2-iodophenoxy)acetate
CID 86005684
methyl 2-[4-(2-aminobutyl)-2-(trifluoromethyl)phenoxy]acetate
CID 63320518
(2-tert-butyl-4-ethylphenoxy)methyl-trifluoroboranuide
CID 63701534
N-[2-(2-tert-butyl-4-ethylphenoxy)ethyl]-2-methylpropan-2-amine
CID 63476113
(2-tert-butyl-4-ethylphenyl) benzoate
CID 146420995
methyl 3-(3-tert-butyl-4-methoxyphenyl)propanoate
CID 82553687
2-(4-bromo-2-tert-butylphenoxy)-N-(4-ethylphenyl)acetamide
CID 19171967
5-[(2-tert-butyl-4-ethylphenoxy)methyl]furan-2-carboxylic acid
CID 7138841
methyl 2-[4-(2-aminopropyl)-2-(trifluoromethyl)phenoxy]acetate
CID 63320686

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-tert-butyl-4-ethylphenoxy)acetate?
The IUPAC name of methyl 2-(2-tert-butyl-4-ethylphenoxy)acetate (CID 28905814) is methyl 2-(2-tert-butyl-4-ethylphenoxy)acetate.
What is the SMILES notation for methyl 2-(2-tert-butyl-4-ethylphenoxy)acetate?
The canonical SMILES for methyl 2-(2-tert-butyl-4-ethylphenoxy)acetate is CCc1ccc(OCC(=O)OC)c(C(C)(C)C)c1.
What is the InChIKey of methyl 2-(2-tert-butyl-4-ethylphenoxy)acetate?
The InChIKey is RFQSXEQENDAZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-6-11-7-8-13(18-10-14(16)17-5)12(9-11)15(2,3)4/h7-9H,6,10H2,1-5H3.
What are the key properties of methyl 2-(2-tert-butyl-4-ethylphenoxy)acetate?
methyl 2-(2-tert-butyl-4-ethylphenoxy)acetate has a molecular weight of 250.34 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-tert-butyl-4-ethylphenoxy)acetate is sourced from PubChem (CID 28905814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).