methyl 2-[3-ethyl-4-(4-methoxyphenoxy)-5-methylphenyl]acetate

C19H22O4 — CID 144504941

IUPACmethyl 2-[3-ethyl-4-(4-methoxyphenoxy)-5-methylphenyl]acetate
SMILESCCc1cc(CC(=O)OC)cc(C)c1Oc1ccc(OC)cc1
InChIInChI=1S/C19H22O4/c1-5-15-11-14(12-18(20)22-4)10-13(2)19(15)23-17-8-6-16(21-3)7-9-17/h6-11H,5,12H2,1-4H3
InChIKeyJOXAMFLHPZLSTR-UHFFFAOYSA-N
MW314.38 g/mol
LogP4.07
Rot. Bonds6

About methyl 2-[3-ethyl-4-(4-methoxyphenoxy)-5-methylphenyl]acetate

methyl 2-[3-ethyl-4-(4-methoxyphenoxy)-5-methylphenyl]acetate (PubChem CID 144504941) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is methyl 2-[3-ethyl-4-(4-methoxyphenoxy)-5-methylphenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-ethyl-4-(4-methoxyphenoxy)-5-methylphenyl]acetate
PubChem CID144504941
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Namemethyl 2-[3-ethyl-4-(4-methoxyphenoxy)-5-methylphenyl]acetate
SMILESCCc1cc(CC(=O)OC)cc(C)c1Oc1ccc(OC)cc1
InChIInChI=1S/C19H22O4/c1-5-15-11-14(12-18(20)22-4)10-13(2)19(15)23-17-8-6-16(21-3)7-9-17/h6-11H,5,12H2,1-4H3
InChIKeyJOXAMFLHPZLSTR-UHFFFAOYSA-N
XLogP4.07
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3,5-dimethyl-4-(4-methylphenoxy)phenyl]-N-hydroxyacetamide;2-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]acetic acid;methyl 2-[3,5-dimethyl-4-(4-methylphenoxy)phenyl]acetate;methyl 2-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]acetate
CID 159371031
ethane;methyl 2-[4-[4-[[4-[4-(hydroxymethyl)-2,6-dimethylphenoxy]-2-methylphenoxy]methoxy]-3-methylphenoxy]-3,5-dimethylphenyl]acetate
CID 143592647
2-(3-ethyl-4-methoxy-5-methylphenyl)acetamide
CID 143330540
methyl 2-(5-methoxy-2-methylphenyl)acetate
CID 170997183
ethane;N-ethyl-2-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]acetamide
CID 144504805
methyl 2-[4-(4-methoxyanilino)phenyl]acetate
CID 82535736
3-[4-(4-methoxyphenoxy)-3,5-dimethylphenyl]-N-methylsulfonylpropanamide
CID 123164997
2-amino-3-[3-ethyl-4-(4-hydroxyphenoxy)-5-methylphenyl]propanoic acid
CID 123414444
methyl 3-methoxy-4-(4-methoxyphenoxy)-5-methylbenzoate
CID 170611745
[4-(2-methoxy-2-oxoethyl)-2-methylphenyl]iodanium
CID 142822061
methyl 2-(6-ethyl-4-methylquinolin-2-yl)acetate
CID 59382493
ethyl 2-(6-methoxynaphthalen-2-yl)acetate
CID 11265053

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-ethyl-4-(4-methoxyphenoxy)-5-methylphenyl]acetate?
The IUPAC name of methyl 2-[3-ethyl-4-(4-methoxyphenoxy)-5-methylphenyl]acetate (CID 144504941) is methyl 2-[3-ethyl-4-(4-methoxyphenoxy)-5-methylphenyl]acetate.
What is the SMILES notation for methyl 2-[3-ethyl-4-(4-methoxyphenoxy)-5-methylphenyl]acetate?
The canonical SMILES for methyl 2-[3-ethyl-4-(4-methoxyphenoxy)-5-methylphenyl]acetate is CCc1cc(CC(=O)OC)cc(C)c1Oc1ccc(OC)cc1.
What is the InChIKey of methyl 2-[3-ethyl-4-(4-methoxyphenoxy)-5-methylphenyl]acetate?
The InChIKey is JOXAMFLHPZLSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O4/c1-5-15-11-14(12-18(20)22-4)10-13(2)19(15)23-17-8-6-16(21-3)7-9-17/h6-11H,5,12H2,1-4H3.
What are the key properties of methyl 2-[3-ethyl-4-(4-methoxyphenoxy)-5-methylphenyl]acetate?
methyl 2-[3-ethyl-4-(4-methoxyphenoxy)-5-methylphenyl]acetate has a molecular weight of 314.38 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-ethyl-4-(4-methoxyphenoxy)-5-methylphenyl]acetate is sourced from PubChem (CID 144504941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).