methyl 3-(4-ethylphenoxy)butanoate

C13H18O3 — CID 43535962

IUPACmethyl 3-(4-ethylphenoxy)butanoate
SMILESCCc1ccc(OC(C)CC(=O)OC)cc1
InChIInChI=1S/C13H18O3/c1-4-11-5-7-12(8-6-11)16-10(2)9-13(14)15-3/h5-8,10H,4,9H2,1-3H3
InChIKeyBDJZQVTYFRCKAT-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.58
Rot. Bonds5

About methyl 3-(4-ethylphenoxy)butanoate

methyl 3-(4-ethylphenoxy)butanoate (PubChem CID 43535962) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is methyl 3-(4-ethylphenoxy)butanoate.

Molecular Properties

Compound Namemethyl 3-(4-ethylphenoxy)butanoate
PubChem CID43535962
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Namemethyl 3-(4-ethylphenoxy)butanoate
SMILESCCc1ccc(OC(C)CC(=O)OC)cc1
InChIInChI=1S/C13H18O3/c1-4-11-5-7-12(8-6-11)16-10(2)9-13(14)15-3/h5-8,10H,4,9H2,1-3H3
InChIKeyBDJZQVTYFRCKAT-UHFFFAOYSA-N
XLogP2.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(4-methoxyphenoxy)butanoate
CID 43536008
methyl 3-(4-ethoxyphenoxy)butanoate
CID 43535934
3-(4-ethylphenoxy)butanoic acid
CID 43535961
4-(4-ethylphenoxy)pentan-2-one
CID 64698154
methyl 3-[4-(4-methylphenyl)phenoxy]butanoate
CID 43536216
methyl 3-(4-ethylanilino)butanoate
CID 43536763
2-(4-ethylphenoxy)-N-methylpropan-1-amine
CID 54798642
ethyl (3S)-3-[4-[4-[4-[(2S)-4-ethoxy-4-oxobutan-2-yl]oxyphenyl]phenyl]phenoxy]butanoate
CID 67763826
methyl (3R)-3-[(4-methoxyphenyl)methoxy]butanoate
CID 10799944
methyl 3-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butanoate
CID 43536243
propan-2-yl 3-(4-methoxyphenoxy)butanoate
CID 146594244
methyl 3-bromo-4-(4-ethylphenyl)butanoate
CID 82352038

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-ethylphenoxy)butanoate?
The IUPAC name of methyl 3-(4-ethylphenoxy)butanoate (CID 43535962) is methyl 3-(4-ethylphenoxy)butanoate.
What is the SMILES notation for methyl 3-(4-ethylphenoxy)butanoate?
The canonical SMILES for methyl 3-(4-ethylphenoxy)butanoate is CCc1ccc(OC(C)CC(=O)OC)cc1.
What is the InChIKey of methyl 3-(4-ethylphenoxy)butanoate?
The InChIKey is BDJZQVTYFRCKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-4-11-5-7-12(8-6-11)16-10(2)9-13(14)15-3/h5-8,10H,4,9H2,1-3H3.
What are the key properties of methyl 3-(4-ethylphenoxy)butanoate?
methyl 3-(4-ethylphenoxy)butanoate has a molecular weight of 222.28 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-ethylphenoxy)butanoate is sourced from PubChem (CID 43535962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).