methyl 2-[3-ethoxy-2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]acetate

C21H26O4 — CID 129039214

IUPACmethyl 2-[3-ethoxy-2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]acetate
SMILESCCOc1cccc(CC(=O)OC)c1COc1ccc(C)cc1CC
InChIInChI=1S/C21H26O4/c1-5-16-12-15(3)10-11-19(16)25-14-18-17(13-21(22)23-4)8-7-9-20(18)24-6-2/h7-12H,5-6,13-14H2,1-4H3
InChIKeySWSNBUKQKRFDML-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.25
Rot. Bonds8

About methyl 2-[3-ethoxy-2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]acetate

methyl 2-[3-ethoxy-2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]acetate (PubChem CID 129039214) has the molecular formula C21H26O4 and a molecular weight of 342.44 g/mol. Its IUPAC name is methyl 2-[3-ethoxy-2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-ethoxy-2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]acetate
PubChem CID129039214
Molecular FormulaC21H26O4
Molecular Weight342.44 g/mol
Exact Mass342.18
IUPAC Namemethyl 2-[3-ethoxy-2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]acetate
SMILESCCOc1cccc(CC(=O)OC)c1COc1ccc(C)cc1CC
InChIInChI=1S/C21H26O4/c1-5-16-12-15(3)10-11-19(16)25-14-18-17(13-21(22)23-4)8-7-9-20(18)24-6-2/h7-12H,5-6,13-14H2,1-4H3
InChIKeySWSNBUKQKRFDML-UHFFFAOYSA-N
XLogP4.25
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-ethyl-2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]-N-methylacetamide
CID 129039472
2-[3-ethoxy-2-[(2-fluoro-4-methylphenoxy)methyl]phenyl]-N-methylacetamide
CID 129039243
methyl 2-[3-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]acetate;methyl 2-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]acetate;methyl 2-[2-[(2,4-dimethylphenoxy)methyl]-3-ethylphenyl]acetate;methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-(hydroxymethyl)phenyl]carbamate;bis(methyl 2-[2-[(2,4-dimethylphenoxy)methyl]-3-methylphenyl]acetate)
CID 159582166
1-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]-3-methylurea
CID 129038787
2-[3-ethoxy-2-[[4-ethyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]-N-methylacetamide
CID 126588276
1-ethoxy-2-ethyl-4-methylbenzene;2-methylbut-2-ene
CID 143611312
methyl 2-[2-[(2-bromo-4-methylphenoxy)methyl]phenyl]acetate
CID 115460643
methyl 2-[(2,4-dimethylphenoxy)methyl]-3-ethylbenzoate
CID 121367533
methyl 2-(2-amino-6-ethoxyphenyl)acetate
CID 84676806
2-[(2-ethylphenoxy)methyl]-1-methoxy-4-methylbenzene
CID 64766047
2-[3-ethoxy-2-[(4-ethyl-2-fluorophenoxy)methyl]phenyl]-N-methylacetamide
CID 126589006
methyl N-[2-[(2-bromo-4-methylphenoxy)methyl]-3-ethoxyphenyl]-N-hydroxycarbamate
CID 129038907

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-ethoxy-2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]acetate?
The IUPAC name of methyl 2-[3-ethoxy-2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]acetate (CID 129039214) is methyl 2-[3-ethoxy-2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]acetate.
What is the SMILES notation for methyl 2-[3-ethoxy-2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]acetate?
The canonical SMILES for methyl 2-[3-ethoxy-2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]acetate is CCOc1cccc(CC(=O)OC)c1COc1ccc(C)cc1CC.
What is the InChIKey of methyl 2-[3-ethoxy-2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]acetate?
The InChIKey is SWSNBUKQKRFDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O4/c1-5-16-12-15(3)10-11-19(16)25-14-18-17(13-21(22)23-4)8-7-9-20(18)24-6-2/h7-12H,5-6,13-14H2,1-4H3.
What are the key properties of methyl 2-[3-ethoxy-2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]acetate?
methyl 2-[3-ethoxy-2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]acetate has a molecular weight of 342.44 g/mol, XLogP of 4.25, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-ethoxy-2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]acetate is sourced from PubChem (CID 129039214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).