ethyl 2-[3-(2-ethoxy-2-oxoethoxy)-2-methyl-4-(3-methylphenyl)phenoxy]acetate

C22H26O6 — CID 175709429

IUPACethyl 2-[3-(2-ethoxy-2-oxoethoxy)-2-methyl-4-(3-methylphenyl)phenoxy]acetate
SMILESCCOC(=O)COc1ccc(-c2cccc(C)c2)c(OCC(=O)OCC)c1C
InChIInChI=1S/C22H26O6/c1-5-25-20(23)13-27-19-11-10-18(17-9-7-8-15(3)12-17)22(16(19)4)28-14-21(24)26-6-2/h7-12H,5-6,13-14H2,1-4H3
InChIKeyMSTRQBBGSOSFPE-UHFFFAOYSA-N
MW386.44 g/mol
LogP3.85
Rot. Bonds9

About ethyl 2-[3-(2-ethoxy-2-oxoethoxy)-2-methyl-4-(3-methylphenyl)phenoxy]acetate

ethyl 2-[3-(2-ethoxy-2-oxoethoxy)-2-methyl-4-(3-methylphenyl)phenoxy]acetate (PubChem CID 175709429) has the molecular formula C22H26O6 and a molecular weight of 386.44 g/mol. Its IUPAC name is ethyl 2-[3-(2-ethoxy-2-oxoethoxy)-2-methyl-4-(3-methylphenyl)phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(2-ethoxy-2-oxoethoxy)-2-methyl-4-(3-methylphenyl)phenoxy]acetate
PubChem CID175709429
Molecular FormulaC22H26O6
Molecular Weight386.44 g/mol
Exact Mass386.17
IUPAC Nameethyl 2-[3-(2-ethoxy-2-oxoethoxy)-2-methyl-4-(3-methylphenyl)phenoxy]acetate
SMILESCCOC(=O)COc1ccc(-c2cccc(C)c2)c(OCC(=O)OCC)c1C
InChIInChI=1S/C22H26O6/c1-5-25-20(23)13-27-19-11-10-18(17-9-7-8-15(3)12-17)22(16(19)4)28-14-21(24)26-6-2/h7-12H,5-6,13-14H2,1-4H3
InChIKeyMSTRQBBGSOSFPE-UHFFFAOYSA-N
XLogP3.85
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(2-hydroxy-4-methylphenoxy)acetate
CID 67510779
2,3-bis(2-ethoxy-2-oxoethoxy)benzoic acid
CID 18471117
ethyl 2-[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]acetate
CID 67464918
ethyl 2-[[26,27,28-tris(2-ethoxy-2-oxoethoxy)-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaen-25-yl]oxy]acetate
CID 15471713
ethyl 2-(3-chlorosulfonyl-2-methylphenoxy)acetate
CID 53408203
ethyl 2-[2-(2-aminopropyl)-4-methylphenoxy]acetate
CID 63326114
ethyl 2-[[26,27,28-tris(2-ethoxy-2-oxoethoxy)-5,11,17,23-tetraphenyl-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaen-25-yl]oxy]acetate
CID 101405265
ethane;ethyl 2-(2,3,4-trimethoxyphenoxy)acetate
CID 144536056
2-(2,6-dimethylphenoxy)acetic acid;ethyl 2-(2,6-dimethylphenoxy)acetate
CID 158433715
ethyl 3-[5-methoxy-2-[3-methyl-4-(3-methylphenyl)phenyl]phenyl]propanoate
CID 52918587
ethyl 2-(2,4-dichlorophenoxy)acetate
CID 10780
ethyl 2-(2-methyl-4-sulfanylphenoxy)acetate
CID 16641178

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(2-ethoxy-2-oxoethoxy)-2-methyl-4-(3-methylphenyl)phenoxy]acetate?
The IUPAC name of ethyl 2-[3-(2-ethoxy-2-oxoethoxy)-2-methyl-4-(3-methylphenyl)phenoxy]acetate (CID 175709429) is ethyl 2-[3-(2-ethoxy-2-oxoethoxy)-2-methyl-4-(3-methylphenyl)phenoxy]acetate.
What is the SMILES notation for ethyl 2-[3-(2-ethoxy-2-oxoethoxy)-2-methyl-4-(3-methylphenyl)phenoxy]acetate?
The canonical SMILES for ethyl 2-[3-(2-ethoxy-2-oxoethoxy)-2-methyl-4-(3-methylphenyl)phenoxy]acetate is CCOC(=O)COc1ccc(-c2cccc(C)c2)c(OCC(=O)OCC)c1C.
What is the InChIKey of ethyl 2-[3-(2-ethoxy-2-oxoethoxy)-2-methyl-4-(3-methylphenyl)phenoxy]acetate?
The InChIKey is MSTRQBBGSOSFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O6/c1-5-25-20(23)13-27-19-11-10-18(17-9-7-8-15(3)12-17)22(16(19)4)28-14-21(24)26-6-2/h7-12H,5-6,13-14H2,1-4H3.
What are the key properties of ethyl 2-[3-(2-ethoxy-2-oxoethoxy)-2-methyl-4-(3-methylphenyl)phenoxy]acetate?
ethyl 2-[3-(2-ethoxy-2-oxoethoxy)-2-methyl-4-(3-methylphenyl)phenoxy]acetate has a molecular weight of 386.44 g/mol, XLogP of 3.85, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(2-ethoxy-2-oxoethoxy)-2-methyl-4-(3-methylphenyl)phenoxy]acetate is sourced from PubChem (CID 175709429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).