(2-ethoxy-2-oxoethyl) 2-(2-methylphenoxy)acetate

C13H16O5 — CID 177256243

IUPAC(2-ethoxy-2-oxoethyl) 2-(2-methylphenoxy)acetate
SMILESCCOC(=O)COC(=O)COc1ccccc1C
InChIInChI=1S/C13H16O5/c1-3-16-12(14)9-18-13(15)8-17-11-7-5-4-6-10(11)2/h4-7H,3,8-9H2,1-2H3
InChIKeyAMKKUPAQCQPNMC-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.48
Rot. Bonds6

About (2-ethoxy-2-oxoethyl) 2-(2-methylphenoxy)acetate

(2-ethoxy-2-oxoethyl) 2-(2-methylphenoxy)acetate (PubChem CID 177256243) has the molecular formula C13H16O5 and a molecular weight of 252.27 g/mol. Its IUPAC name is (2-ethoxy-2-oxoethyl) 2-(2-methylphenoxy)acetate.

Molecular Properties

Compound Name(2-ethoxy-2-oxoethyl) 2-(2-methylphenoxy)acetate
PubChem CID177256243
Molecular FormulaC13H16O5
Molecular Weight252.27 g/mol
Exact Mass252.10
IUPAC Name(2-ethoxy-2-oxoethyl) 2-(2-methylphenoxy)acetate
SMILESCCOC(=O)COC(=O)COc1ccccc1C
InChIInChI=1S/C13H16O5/c1-3-16-12(14)9-18-13(15)8-17-11-7-5-4-6-10(11)2/h4-7H,3,8-9H2,1-2H3
InChIKeyAMKKUPAQCQPNMC-UHFFFAOYSA-N
XLogP1.48
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2,6-dimethylanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 8704893
2-(diethylamino)ethyl 2-(2-methylphenoxy)acetate
CID 2176414
2-(2-ethoxy-2-oxoethoxy)benzoic acid
CID 1302464
[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 9335908
[2-(2-bromoanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 2555539
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 9336248
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 7767828
[2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 30044360
[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 9335548
ethyl 3-[2-[2-(2-methylphenoxy)acetyl]hydrazinyl]but-3-enoate
CID 2308890
ethyl 2-[[2-(2-methylphenoxy)acetyl]-propan-2-ylamino]acetate
CID 61022066
ethyl 2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetate
CID 78931582

Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-2-oxoethyl) 2-(2-methylphenoxy)acetate?
The IUPAC name of (2-ethoxy-2-oxoethyl) 2-(2-methylphenoxy)acetate (CID 177256243) is (2-ethoxy-2-oxoethyl) 2-(2-methylphenoxy)acetate.
What is the SMILES notation for (2-ethoxy-2-oxoethyl) 2-(2-methylphenoxy)acetate?
The canonical SMILES for (2-ethoxy-2-oxoethyl) 2-(2-methylphenoxy)acetate is CCOC(=O)COC(=O)COc1ccccc1C.
What is the InChIKey of (2-ethoxy-2-oxoethyl) 2-(2-methylphenoxy)acetate?
The InChIKey is AMKKUPAQCQPNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O5/c1-3-16-12(14)9-18-13(15)8-17-11-7-5-4-6-10(11)2/h4-7H,3,8-9H2,1-2H3.
What are the key properties of (2-ethoxy-2-oxoethyl) 2-(2-methylphenoxy)acetate?
(2-ethoxy-2-oxoethyl) 2-(2-methylphenoxy)acetate has a molecular weight of 252.27 g/mol, XLogP of 1.48, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-2-oxoethyl) 2-(2-methylphenoxy)acetate is sourced from PubChem (CID 177256243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).