3-methylbutyl 2-(4-ethoxyphenoxy)acetate

C15H22O4 — CID 78832256

IUPAC3-methylbutyl 2-(4-ethoxyphenoxy)acetate
SMILESCCOc1ccc(OCC(=O)OCCC(C)C)cc1
InChIInChI=1S/C15H22O4/c1-4-17-13-5-7-14(8-6-13)19-11-15(16)18-10-9-12(2)3/h5-8,12H,4,9-11H2,1-3H3
InChIKeyRZAMKWMUKNDFMB-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.05
Rot. Bonds8

About 3-methylbutyl 2-(4-ethoxyphenoxy)acetate

3-methylbutyl 2-(4-ethoxyphenoxy)acetate (PubChem CID 78832256) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-methylbutyl 2-(4-ethoxyphenoxy)acetate.

Molecular Properties

Compound Name3-methylbutyl 2-(4-ethoxyphenoxy)acetate
PubChem CID78832256
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name3-methylbutyl 2-(4-ethoxyphenoxy)acetate
SMILESCCOc1ccc(OCC(=O)OCCC(C)C)cc1
InChIInChI=1S/C15H22O4/c1-4-17-13-5-7-14(8-6-13)19-11-15(16)18-10-9-12(2)3/h5-8,12H,4,9-11H2,1-3H3
InChIKeyRZAMKWMUKNDFMB-UHFFFAOYSA-N
XLogP3.05
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methylbutyl 2-(4-propanoylphenoxy)acetate
CID 86914486
ethoxybenzene;3-methylbutyl 2-phenylacetate
CID 174913465
(4-acetylphenyl) 2-[4-(3-methylbutoxy)phenoxy]acetate
CID 4732934
ethyl 2-[2-(3-methylbutoxy)-2-oxoethoxy]acetate
CID 91695893
2-[2-(4-methylphenoxy)acetyl]oxyethyl 2-(4-methylphenoxy)acetate
CID 90306782
2-[4-(3-methylbutoxy)phenoxy]-N-propan-2-ylacetamide
CID 4732908
propyl 2-(4-ethylphenoxy)acetate
CID 78907907
ethyl 2-[[4-(3-methylbutoxy)benzoyl]amino]acetate
CID 4948251
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 27913717
2-(1,3-dioxoisoindol-2-yl)ethyl 2-(4-ethoxyphenoxy)acetate
CID 7606197
3-methylbutyl 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate
CID 30138427
N-ethoxy-2-(4-ethoxyphenoxy)acetamide
CID 60700690

Frequently Asked Questions

What is the IUPAC name of 3-methylbutyl 2-(4-ethoxyphenoxy)acetate?
The IUPAC name of 3-methylbutyl 2-(4-ethoxyphenoxy)acetate (CID 78832256) is 3-methylbutyl 2-(4-ethoxyphenoxy)acetate.
What is the SMILES notation for 3-methylbutyl 2-(4-ethoxyphenoxy)acetate?
The canonical SMILES for 3-methylbutyl 2-(4-ethoxyphenoxy)acetate is CCOc1ccc(OCC(=O)OCCC(C)C)cc1.
What is the InChIKey of 3-methylbutyl 2-(4-ethoxyphenoxy)acetate?
The InChIKey is RZAMKWMUKNDFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-4-17-13-5-7-14(8-6-13)19-11-15(16)18-10-9-12(2)3/h5-8,12H,4,9-11H2,1-3H3.
What are the key properties of 3-methylbutyl 2-(4-ethoxyphenoxy)acetate?
3-methylbutyl 2-(4-ethoxyphenoxy)acetate has a molecular weight of 266.34 g/mol, XLogP of 3.05, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutyl 2-(4-ethoxyphenoxy)acetate is sourced from PubChem (CID 78832256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).