methyl 3-(4-ethoxyphenoxy)butanoate

C13H18O4 — CID 43535934

IUPACmethyl 3-(4-ethoxyphenoxy)butanoate
SMILESCCOc1ccc(OC(C)CC(=O)OC)cc1
InChIInChI=1S/C13H18O4/c1-4-16-11-5-7-12(8-6-11)17-10(2)9-13(14)15-3/h5-8,10H,4,9H2,1-3H3
InChIKeyAECHJLCSVYYOJF-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.42
Rot. Bonds6

About methyl 3-(4-ethoxyphenoxy)butanoate

methyl 3-(4-ethoxyphenoxy)butanoate (PubChem CID 43535934) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is methyl 3-(4-ethoxyphenoxy)butanoate.

Molecular Properties

Compound Namemethyl 3-(4-ethoxyphenoxy)butanoate
PubChem CID43535934
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Namemethyl 3-(4-ethoxyphenoxy)butanoate
SMILESCCOc1ccc(OC(C)CC(=O)OC)cc1
InChIInChI=1S/C13H18O4/c1-4-16-11-5-7-12(8-6-11)17-10(2)9-13(14)15-3/h5-8,10H,4,9H2,1-3H3
InChIKeyAECHJLCSVYYOJF-UHFFFAOYSA-N
XLogP2.42
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(4-methoxyphenoxy)butanoate
CID 43536008
methyl 3-(4-ethylphenoxy)butanoate
CID 43535962
methyl 3-[4-(4-methylphenyl)phenoxy]butanoate
CID 43536216
ethyl (3S)-3-[4-[4-[4-[(2S)-4-ethoxy-4-oxobutan-2-yl]oxyphenyl]phenyl]phenoxy]butanoate
CID 67763826
methyl 4-(4-ethoxyphenyl)-3-(propan-2-ylamino)butanoate
CID 82351403
propan-2-yl 3-(4-methoxyphenoxy)butanoate
CID 146594244
methyl (3R)-3-amino-3-(4-ethoxyphenyl)propanoate;hydrochloride
CID 171246532
methyl 2-amino-4-(4-ethoxyphenoxy)-2-methylpentanoate
CID 64708683
methyl 3-[4-(4-isothiocyanatobenzoyl)phenoxy]butanoate
CID 71538377
2-(4-ethoxyphenoxy)propanoyl chloride
CID 82041126
methyl 3-[3-hydroxy-4-(1,3,5-triazin-2-yl)phenoxy]butanoate
CID 175234484
methyl 2-(4-ethoxy-N-methylanilino)acetate
CID 115232761

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-ethoxyphenoxy)butanoate?
The IUPAC name of methyl 3-(4-ethoxyphenoxy)butanoate (CID 43535934) is methyl 3-(4-ethoxyphenoxy)butanoate.
What is the SMILES notation for methyl 3-(4-ethoxyphenoxy)butanoate?
The canonical SMILES for methyl 3-(4-ethoxyphenoxy)butanoate is CCOc1ccc(OC(C)CC(=O)OC)cc1.
What is the InChIKey of methyl 3-(4-ethoxyphenoxy)butanoate?
The InChIKey is AECHJLCSVYYOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-4-16-11-5-7-12(8-6-11)17-10(2)9-13(14)15-3/h5-8,10H,4,9H2,1-3H3.
What are the key properties of methyl 3-(4-ethoxyphenoxy)butanoate?
methyl 3-(4-ethoxyphenoxy)butanoate has a molecular weight of 238.28 g/mol, XLogP of 2.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-ethoxyphenoxy)butanoate is sourced from PubChem (CID 43535934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).