ethyl 2-(2,5-dimethyl-4-propylphenoxy)acetate

C15H22O3 — CID 143220496

IUPACethyl 2-(2,5-dimethyl-4-propylphenoxy)acetate
SMILESCCCc1cc(C)c(OCC(=O)OCC)cc1C
InChIInChI=1S/C15H22O3/c1-5-7-13-8-12(4)14(9-11(13)3)18-10-15(16)17-6-2/h8-9H,5-7,10H2,1-4H3
InChIKeyAPEZEZLCERDYMP-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.20
Rot. Bonds6

About ethyl 2-(2,5-dimethyl-4-propylphenoxy)acetate

ethyl 2-(2,5-dimethyl-4-propylphenoxy)acetate (PubChem CID 143220496) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is ethyl 2-(2,5-dimethyl-4-propylphenoxy)acetate.

Molecular Properties

Compound Nameethyl 2-(2,5-dimethyl-4-propylphenoxy)acetate
PubChem CID143220496
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Nameethyl 2-(2,5-dimethyl-4-propylphenoxy)acetate
SMILESCCCc1cc(C)c(OCC(=O)OCC)cc1C
InChIInChI=1S/C15H22O3/c1-5-7-13-8-12(4)14(9-11(13)3)18-10-15(16)17-6-2/h8-9H,5-7,10H2,1-4H3
InChIKeyAPEZEZLCERDYMP-UHFFFAOYSA-N
XLogP3.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-(4-ethoxy-2,5-dimethylphenyl)butanoate
CID 82350381
ethyl 2-(2-methyl-4-propylphenoxy)acetate
CID 134426346
ethyl 2-(4-bromo-2,3,5-trimethylphenoxy)acetate
CID 86047360
ethyl 2-(2-methyl-4-sulfanylphenoxy)acetate
CID 16641178
ethyl 2-(4-chloro-2-methylphenoxy)acetate
CID 17603
ethyl 2-(4-iodo-2-methylphenoxy)acetate
CID 57361058
ethyl 2-[3,5-bis(2-ethoxy-2-oxoethoxy)phenoxy]acetate
CID 71361550
1-ethoxy-4-ethyl-2,5-dimethylbenzene
CID 84761080
ethyl 2-(4-acetamido-2,3,5-trimethylphenoxy)acetate
CID 5069097
ethyl 2-[4-(4-formyl-2-methylphenyl)sulfanyl-2,5-dimethylphenoxy]acetate
CID 20768120
ethyl 2-(3,4,5-trimethylphenoxy)acetate
CID 141147627
ethyl 3-(4-hydroxy-2,5-dimethylphenyl)propanoate
CID 58566683

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,5-dimethyl-4-propylphenoxy)acetate?
The IUPAC name of ethyl 2-(2,5-dimethyl-4-propylphenoxy)acetate (CID 143220496) is ethyl 2-(2,5-dimethyl-4-propylphenoxy)acetate.
What is the SMILES notation for ethyl 2-(2,5-dimethyl-4-propylphenoxy)acetate?
The canonical SMILES for ethyl 2-(2,5-dimethyl-4-propylphenoxy)acetate is CCCc1cc(C)c(OCC(=O)OCC)cc1C.
What is the InChIKey of ethyl 2-(2,5-dimethyl-4-propylphenoxy)acetate?
The InChIKey is APEZEZLCERDYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-5-7-13-8-12(4)14(9-11(13)3)18-10-15(16)17-6-2/h8-9H,5-7,10H2,1-4H3.
What are the key properties of ethyl 2-(2,5-dimethyl-4-propylphenoxy)acetate?
ethyl 2-(2,5-dimethyl-4-propylphenoxy)acetate has a molecular weight of 250.34 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,5-dimethyl-4-propylphenoxy)acetate is sourced from PubChem (CID 143220496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).