ethyl 2-[3-[(3-methoxy-2,6-dimethylphenyl)methoxy]-4-methylphenyl]acetate

C21H26O4 — CID 67085942

IUPACethyl 2-[3-[(3-methoxy-2,6-dimethylphenyl)methoxy]-4-methylphenyl]acetate
SMILESCCOC(=O)Cc1ccc(C)c(OCc2c(C)ccc(OC)c2C)c1
InChIInChI=1S/C21H26O4/c1-6-24-21(22)12-17-9-7-15(3)20(11-17)25-13-18-14(2)8-10-19(23-5)16(18)4/h7-11H,6,12-13H2,1-5H3
InChIKeyFEYFRWGLKKBKRY-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.31
Rot. Bonds7

About ethyl 2-[3-[(3-methoxy-2,6-dimethylphenyl)methoxy]-4-methylphenyl]acetate

ethyl 2-[3-[(3-methoxy-2,6-dimethylphenyl)methoxy]-4-methylphenyl]acetate (PubChem CID 67085942) has the molecular formula C21H26O4 and a molecular weight of 342.44 g/mol. Its IUPAC name is ethyl 2-[3-[(3-methoxy-2,6-dimethylphenyl)methoxy]-4-methylphenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[(3-methoxy-2,6-dimethylphenyl)methoxy]-4-methylphenyl]acetate
PubChem CID67085942
Molecular FormulaC21H26O4
Molecular Weight342.44 g/mol
Exact Mass342.18
IUPAC Nameethyl 2-[3-[(3-methoxy-2,6-dimethylphenyl)methoxy]-4-methylphenyl]acetate
SMILESCCOC(=O)Cc1ccc(C)c(OCc2c(C)ccc(OC)c2C)c1
InChIInChI=1S/C21H26O4/c1-6-24-21(22)12-17-9-7-15(3)20(11-17)25-13-18-14(2)8-10-19(23-5)16(18)4/h7-11H,6,12-13H2,1-5H3
InChIKeyFEYFRWGLKKBKRY-UHFFFAOYSA-N
XLogP4.31
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(2-bromo-3-methoxy-6-methylphenyl)acetate
CID 171001723
ethyl 2-[4-methoxy-3-[3-(methylamino)propoxy]phenyl]acetate
CID 58870370
ethyl 2-(3-cyano-4-methoxyphenyl)acetate
CID 134652114
[5-(2-ethoxy-2-oxoethyl)-2-methoxyphenyl]boronic acid
CID 90360455
propan-2-yl 2-(3-methoxy-4-methylphenyl)acetate
CID 112723040
ethyl 2-(3-methoxy-4-methylsulfanylphenyl)acetate
CID 91881387
ethyl 2-(2-chloro-3-methoxy-6-methylphenyl)acetate
CID 171005738
ethyl 2-(6-methoxynaphthalen-2-yl)acetate
CID 11265053
ethyl 2-(4-butoxy-3-methylphenyl)acetate
CID 154174708
ethyl 2-(3-iodo-4-methylphenyl)acetate
CID 134638159
2-(3-methoxy-4-methylphenyl)-N,N-dimethylacetamide
CID 60701058
ethyl 2-[4-methoxy-3-(2-oxopropylsulfanyl)phenyl]acetate
CID 66764935

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[(3-methoxy-2,6-dimethylphenyl)methoxy]-4-methylphenyl]acetate?
The IUPAC name of ethyl 2-[3-[(3-methoxy-2,6-dimethylphenyl)methoxy]-4-methylphenyl]acetate (CID 67085942) is ethyl 2-[3-[(3-methoxy-2,6-dimethylphenyl)methoxy]-4-methylphenyl]acetate.
What is the SMILES notation for ethyl 2-[3-[(3-methoxy-2,6-dimethylphenyl)methoxy]-4-methylphenyl]acetate?
The canonical SMILES for ethyl 2-[3-[(3-methoxy-2,6-dimethylphenyl)methoxy]-4-methylphenyl]acetate is CCOC(=O)Cc1ccc(C)c(OCc2c(C)ccc(OC)c2C)c1.
What is the InChIKey of ethyl 2-[3-[(3-methoxy-2,6-dimethylphenyl)methoxy]-4-methylphenyl]acetate?
The InChIKey is FEYFRWGLKKBKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O4/c1-6-24-21(22)12-17-9-7-15(3)20(11-17)25-13-18-14(2)8-10-19(23-5)16(18)4/h7-11H,6,12-13H2,1-5H3.
What are the key properties of ethyl 2-[3-[(3-methoxy-2,6-dimethylphenyl)methoxy]-4-methylphenyl]acetate?
ethyl 2-[3-[(3-methoxy-2,6-dimethylphenyl)methoxy]-4-methylphenyl]acetate has a molecular weight of 342.44 g/mol, XLogP of 4.31, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[(3-methoxy-2,6-dimethylphenyl)methoxy]-4-methylphenyl]acetate is sourced from PubChem (CID 67085942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).