ethyl 2-[3,5-bis(2-ethoxy-2-oxoethoxy)phenoxy]acetate

C18H24O9 — CID 71361550

IUPACethyl 2-[3,5-bis(2-ethoxy-2-oxoethoxy)phenoxy]acetate
SMILESCCOC(=O)COc1cc(OCC(=O)OCC)cc(OCC(=O)OCC)c1
InChIInChI=1S/C18H24O9/c1-4-22-16(19)10-25-13-7-14(26-11-17(20)23-5-2)9-15(8-13)27-12-18(21)24-6-3/h7-9H,4-6,10-12H2,1-3H3
InChIKeyPPVWYXMYZXBZRZ-UHFFFAOYSA-N
MW384.38 g/mol
LogP1.51
Rot. Bonds12

About ethyl 2-[3,5-bis(2-ethoxy-2-oxoethoxy)phenoxy]acetate

ethyl 2-[3,5-bis(2-ethoxy-2-oxoethoxy)phenoxy]acetate (PubChem CID 71361550) has the molecular formula C18H24O9 and a molecular weight of 384.38 g/mol. Its IUPAC name is ethyl 2-[3,5-bis(2-ethoxy-2-oxoethoxy)phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[3,5-bis(2-ethoxy-2-oxoethoxy)phenoxy]acetate
PubChem CID71361550
Molecular FormulaC18H24O9
Molecular Weight384.38 g/mol
Exact Mass384.14
IUPAC Nameethyl 2-[3,5-bis(2-ethoxy-2-oxoethoxy)phenoxy]acetate
SMILESCCOC(=O)COc1cc(OCC(=O)OCC)cc(OCC(=O)OCC)c1
InChIInChI=1S/C18H24O9/c1-4-22-16(19)10-25-13-7-14(26-11-17(20)23-5-2)9-15(8-13)27-12-18(21)24-6-3/h7-9H,4-6,10-12H2,1-3H3
InChIKeyPPVWYXMYZXBZRZ-UHFFFAOYSA-N
XLogP1.51
TPSA106.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.38
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[3-(2-ethoxy-2-oxoethoxy)-5-formylphenoxy]acetate
CID 86184091
ethyl 2-(3,4,5-trimethylphenoxy)acetate
CID 141147627
ethyl 2-(3-methoxy-5-methylphenoxy)acetate
CID 59177445
ethyl 2-(4-amino-3-ethyl-5-methylphenoxy)acetate
CID 168944648
ethyl 2-(3-hydroxy-5-methylphenoxy)acetate
CID 90066634
ethyl 2-[3-(2-methylpropoxy)phenoxy]acetate
CID 86689297
ethyl 2-(4-amino-3-methylphenoxy)acetate;hydrochloride
CID 70346506
ethyl 2-(3-bromo-4-hydroxyphenoxy)acetate
CID 57431966
2-amino-5-(2-ethoxy-2-oxoethoxy)benzoic acid
CID 107077178
ethyl 4-(3,5-dimethylphenoxy)-3-oxobutanoate
CID 60643754
ethane;ethyl 2-[3-(2-ethoxy-2-oxoethoxy)-5-(4-pentylphenyl)phenoxy]acetate
CID 144648402
ethyl 2-[4-(ethylamino)phenoxy]acetate
CID 69220443

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3,5-bis(2-ethoxy-2-oxoethoxy)phenoxy]acetate?
The IUPAC name of ethyl 2-[3,5-bis(2-ethoxy-2-oxoethoxy)phenoxy]acetate (CID 71361550) is ethyl 2-[3,5-bis(2-ethoxy-2-oxoethoxy)phenoxy]acetate.
What is the SMILES notation for ethyl 2-[3,5-bis(2-ethoxy-2-oxoethoxy)phenoxy]acetate?
The canonical SMILES for ethyl 2-[3,5-bis(2-ethoxy-2-oxoethoxy)phenoxy]acetate is CCOC(=O)COc1cc(OCC(=O)OCC)cc(OCC(=O)OCC)c1.
What is the InChIKey of ethyl 2-[3,5-bis(2-ethoxy-2-oxoethoxy)phenoxy]acetate?
The InChIKey is PPVWYXMYZXBZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O9/c1-4-22-16(19)10-25-13-7-14(26-11-17(20)23-5-2)9-15(8-13)27-12-18(21)24-6-3/h7-9H,4-6,10-12H2,1-3H3.
What are the key properties of ethyl 2-[3,5-bis(2-ethoxy-2-oxoethoxy)phenoxy]acetate?
ethyl 2-[3,5-bis(2-ethoxy-2-oxoethoxy)phenoxy]acetate has a molecular weight of 384.38 g/mol, XLogP of 1.51, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3,5-bis(2-ethoxy-2-oxoethoxy)phenoxy]acetate is sourced from PubChem (CID 71361550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).