methyl 2-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl]acetate

C20H24O3 — CID 126588250

IUPACmethyl 2-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl]acetate
SMILESCCc1cc(C)c(OCc2ccccc2CC(=O)OC)cc1C
InChIInChI=1S/C20H24O3/c1-5-16-10-15(3)19(11-14(16)2)23-13-18-9-7-6-8-17(18)12-20(21)22-4/h6-11H,5,12-13H2,1-4H3
InChIKeyREGQQTLRBFWRSV-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.16
Rot. Bonds6

About methyl 2-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl]acetate

methyl 2-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl]acetate (PubChem CID 126588250) has the molecular formula C20H24O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is methyl 2-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl]acetate
PubChem CID126588250
Molecular FormulaC20H24O3
Molecular Weight312.41 g/mol
Exact Mass312.17
IUPAC Namemethyl 2-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl]acetate
SMILESCCc1cc(C)c(OCc2ccccc2CC(=O)OC)cc1C
InChIInChI=1S/C20H24O3/c1-5-16-10-15(3)19(11-14(16)2)23-13-18-9-7-6-8-17(18)12-20(21)22-4/h6-11H,5,12-13H2,1-4H3
InChIKeyREGQQTLRBFWRSV-UHFFFAOYSA-N
XLogP4.16
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[2-[(2-fluoro-4,5-dimethylphenoxy)methyl]phenyl]acetate
CID 129039037
methyl N-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl]-N-hydroxycarbamate
CID 126588191
S-methyl N-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl]carbamothioate
CID 126588850
N-methyl-2-[2-[(2,4,5-trimethylphenoxy)methyl]phenyl]acetamide
CID 129039360
methyl 2-[2-[(2-bromo-4-methylphenoxy)methyl]phenyl]acetate
CID 115460643
N-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl]propanethioamide
CID 126588966
2-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-methoxyphenyl]-N-methylacetamide
CID 126589388
methyl 2-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-iodophenyl]-2-oxoacetate
CID 126588292
[3-ethoxy-2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl] N-methylcarbamate
CID 122649555
methyl N-[2-[(2-bromo-4-ethyl-5-methylphenoxy)methyl]phenyl]-N-hydroxycarbamate
CID 126588747
S-[3-ethyl-2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl] ethanethioate
CID 122649579
ethane;methyl 2-(2-methylphenyl)acetate
CID 142489189

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl]acetate?
The IUPAC name of methyl 2-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl]acetate (CID 126588250) is methyl 2-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl]acetate.
What is the SMILES notation for methyl 2-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl]acetate?
The canonical SMILES for methyl 2-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl]acetate is CCc1cc(C)c(OCc2ccccc2CC(=O)OC)cc1C.
What is the InChIKey of methyl 2-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl]acetate?
The InChIKey is REGQQTLRBFWRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O3/c1-5-16-10-15(3)19(11-14(16)2)23-13-18-9-7-6-8-17(18)12-20(21)22-4/h6-11H,5,12-13H2,1-4H3.
What are the key properties of methyl 2-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl]acetate?
methyl 2-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl]acetate has a molecular weight of 312.41 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl]acetate is sourced from PubChem (CID 126588250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).