2-[2-(4-methylphenoxy)acetyl]oxyethyl 2-(4-methylphenoxy)acetate

C20H22O6 — CID 90306782

IUPAC2-[2-(4-methylphenoxy)acetyl]oxyethyl 2-(4-methylphenoxy)acetate
SMILESCc1ccc(OCC(=O)OCCOC(=O)COc2ccc(C)cc2)cc1
InChIInChI=1S/C20H22O6/c1-15-3-7-17(8-4-15)25-13-19(21)23-11-12-24-20(22)14-26-18-9-5-16(2)6-10-18/h3-10H,11-14H2,1-2H3
InChIKeyRNDAUJLRPBIBMH-UHFFFAOYSA-N
MW358.39 g/mol
LogP2.85
Rot. Bonds9

About 2-[2-(4-methylphenoxy)acetyl]oxyethyl 2-(4-methylphenoxy)acetate

2-[2-(4-methylphenoxy)acetyl]oxyethyl 2-(4-methylphenoxy)acetate (PubChem CID 90306782) has the molecular formula C20H22O6 and a molecular weight of 358.39 g/mol. Its IUPAC name is 2-[2-(4-methylphenoxy)acetyl]oxyethyl 2-(4-methylphenoxy)acetate.

Molecular Properties

Compound Name2-[2-(4-methylphenoxy)acetyl]oxyethyl 2-(4-methylphenoxy)acetate
PubChem CID90306782
Molecular FormulaC20H22O6
Molecular Weight358.39 g/mol
Exact Mass358.14
IUPAC Name2-[2-(4-methylphenoxy)acetyl]oxyethyl 2-(4-methylphenoxy)acetate
SMILESCc1ccc(OCC(=O)OCCOC(=O)COc2ccc(C)cc2)cc1
InChIInChI=1S/C20H22O6/c1-15-3-7-17(8-4-15)25-13-19(21)23-11-12-24-20(22)14-26-18-9-5-16(2)6-10-18/h3-10H,11-14H2,1-2H3
InChIKeyRNDAUJLRPBIBMH-UHFFFAOYSA-N
XLogP2.85
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-nitrophenoxy)ethyl 2-(4-methylphenoxy)acetate
CID 2414866
2-(diethylamino)ethyl 2-(4-methylphenoxy)acetate
CID 76852280
2-(butylamino)ethyl 2-(4-methylphenoxy)acetate
CID 82532372
methyl 2-[4-(4-methylphenyl)phenoxy]acetate
CID 2791912
(4-methylphenyl)methyl 2-(4-aminophenoxy)acetate
CID 61321197
2-(4-methylphenoxy)ethyl 2-phenylacetate
CID 55319310
propyl 2-(4-ethylphenoxy)acetate
CID 78907907
bis[6-[6-(4-methylphenoxy)hexoxy]-6-oxohexyl] butanedioate
CID 58027900
(2,3,4,5,6-pentafluorophenyl) 2-(4-methylphenoxy)acetate
CID 59908009
lithium 2-(4-methylphenoxy)acetate
CID 19205665
butyl 2-[4-[(5-methyl-2-pyridinyl)oxy]phenoxy]acetate
CID 159281133
propyl 2-[4-(2-ethoxy-2-oxoethoxy)phenyl]acetate
CID 14856730

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylphenoxy)acetyl]oxyethyl 2-(4-methylphenoxy)acetate?
The IUPAC name of 2-[2-(4-methylphenoxy)acetyl]oxyethyl 2-(4-methylphenoxy)acetate (CID 90306782) is 2-[2-(4-methylphenoxy)acetyl]oxyethyl 2-(4-methylphenoxy)acetate.
What is the SMILES notation for 2-[2-(4-methylphenoxy)acetyl]oxyethyl 2-(4-methylphenoxy)acetate?
The canonical SMILES for 2-[2-(4-methylphenoxy)acetyl]oxyethyl 2-(4-methylphenoxy)acetate is Cc1ccc(OCC(=O)OCCOC(=O)COc2ccc(C)cc2)cc1.
What is the InChIKey of 2-[2-(4-methylphenoxy)acetyl]oxyethyl 2-(4-methylphenoxy)acetate?
The InChIKey is RNDAUJLRPBIBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O6/c1-15-3-7-17(8-4-15)25-13-19(21)23-11-12-24-20(22)14-26-18-9-5-16(2)6-10-18/h3-10H,11-14H2,1-2H3.
What are the key properties of 2-[2-(4-methylphenoxy)acetyl]oxyethyl 2-(4-methylphenoxy)acetate?
2-[2-(4-methylphenoxy)acetyl]oxyethyl 2-(4-methylphenoxy)acetate has a molecular weight of 358.39 g/mol, XLogP of 2.85, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylphenoxy)acetyl]oxyethyl 2-(4-methylphenoxy)acetate is sourced from PubChem (CID 90306782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).