ethyl 2-(2-methyl-4-propylphenoxy)acetate

C14H20O3 — CID 134426346

IUPACethyl 2-(2-methyl-4-propylphenoxy)acetate
SMILESCCCc1ccc(OCC(=O)OCC)c(C)c1
InChIInChI=1S/C14H20O3/c1-4-6-12-7-8-13(11(3)9-12)17-10-14(15)16-5-2/h7-9H,4-6,10H2,1-3H3
InChIKeyLPQLQQIFTVRCMJ-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.89
Rot. Bonds6

About ethyl 2-(2-methyl-4-propylphenoxy)acetate

ethyl 2-(2-methyl-4-propylphenoxy)acetate (PubChem CID 134426346) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is ethyl 2-(2-methyl-4-propylphenoxy)acetate.

Molecular Properties

Compound Nameethyl 2-(2-methyl-4-propylphenoxy)acetate
PubChem CID134426346
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Nameethyl 2-(2-methyl-4-propylphenoxy)acetate
SMILESCCCc1ccc(OCC(=O)OCC)c(C)c1
InChIInChI=1S/C14H20O3/c1-4-6-12-7-8-13(11(3)9-12)17-10-14(15)16-5-2/h7-9H,4-6,10H2,1-3H3
InChIKeyLPQLQQIFTVRCMJ-UHFFFAOYSA-N
XLogP2.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(2-methyl-4-sulfanylphenoxy)acetate
CID 16641178
ethyl 2-[4-(butylaminomethyl)-2-methylphenoxy]acetate
CID 58622846
ethyl 2-(4-chloro-2-methylphenoxy)acetate
CID 17603
ethyl 2-(4-iodo-2-methylphenoxy)acetate
CID 57361058
ethyl 2-(2,5-dimethyl-4-propylphenoxy)acetate
CID 143220496
ethyl 2-[(4-propyl-2-pyridinyl)oxy]acetate
CID 143887613
ethyl 2-(4-butoxy-3-methylphenyl)acetate
CID 154174708
ethyl 2-[4-(2-bromoacetyl)-2-methylphenoxy]acetate
CID 18918343
ethyl 2-[2-cyano-4-(2-hydroxyethyl)phenoxy]acetate
CID 18620086
ethyl 2-[4-[4-(4-hydroxy-3-methylphenyl)heptan-4-yl]-2-methylphenoxy]acetate
CID 155549053
ethyl 2-[2-bromo-4-(ethylaminomethyl)phenoxy]acetate
CID 63047063
(2-ethoxy-2-oxoethyl) 2-(2-methylphenoxy)acetate
CID 177256243

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methyl-4-propylphenoxy)acetate?
The IUPAC name of ethyl 2-(2-methyl-4-propylphenoxy)acetate (CID 134426346) is ethyl 2-(2-methyl-4-propylphenoxy)acetate.
What is the SMILES notation for ethyl 2-(2-methyl-4-propylphenoxy)acetate?
The canonical SMILES for ethyl 2-(2-methyl-4-propylphenoxy)acetate is CCCc1ccc(OCC(=O)OCC)c(C)c1.
What is the InChIKey of ethyl 2-(2-methyl-4-propylphenoxy)acetate?
The InChIKey is LPQLQQIFTVRCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-4-6-12-7-8-13(11(3)9-12)17-10-14(15)16-5-2/h7-9H,4-6,10H2,1-3H3.
What are the key properties of ethyl 2-(2-methyl-4-propylphenoxy)acetate?
ethyl 2-(2-methyl-4-propylphenoxy)acetate has a molecular weight of 236.31 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methyl-4-propylphenoxy)acetate is sourced from PubChem (CID 134426346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).