ethyl 2-ethoxy-3-[4-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]propanoate

C20H30O7 — CID 139894773

IUPACethyl 2-ethoxy-3-[4-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]propanoate
SMILESCCOC(=O)C(Cc1ccc(OC)c(OCC(=O)OC(C)(C)C)c1)OCC
InChIInChI=1S/C20H30O7/c1-7-24-17(19(22)25-8-2)12-14-9-10-15(23-6)16(11-14)26-13-18(21)27-20(3,4)5/h9-11,17H,7-8,12-13H2,1-6H3
InChIKeyOXTZVRDKZHPZAJ-UHFFFAOYSA-N
MW382.45 g/mol
LogP2.93
Rot. Bonds10

About ethyl 2-ethoxy-3-[4-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]propanoate

ethyl 2-ethoxy-3-[4-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]propanoate (PubChem CID 139894773) has the molecular formula C20H30O7 and a molecular weight of 382.45 g/mol. Its IUPAC name is ethyl 2-ethoxy-3-[4-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]propanoate.

Molecular Properties

Compound Nameethyl 2-ethoxy-3-[4-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]propanoate
PubChem CID139894773
Molecular FormulaC20H30O7
Molecular Weight382.45 g/mol
Exact Mass382.20
IUPAC Nameethyl 2-ethoxy-3-[4-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]propanoate
SMILESCCOC(=O)C(Cc1ccc(OC)c(OCC(=O)OC(C)(C)C)c1)OCC
InChIInChI=1S/C20H30O7/c1-7-24-17(19(22)25-8-2)12-14-9-10-15(23-6)16(11-14)26-13-18(21)27-20(3,4)5/h9-11,17H,7-8,12-13H2,1-6H3
InChIKeyOXTZVRDKZHPZAJ-UHFFFAOYSA-N
XLogP2.93
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 2-ethoxy-3-[4-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]propanoate with MolForge

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Related Compounds

5-[3-ethoxy-2-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2-methoxybenzoic acid
CID 22493890
tert-butyl 2-(5-formyl-2-methoxyphenoxy)acetate
CID 171130082
ethyl 2-[4-(2-aminobutyl)-2-methoxyphenoxy]acetate
CID 60906795
tert-butyl 2-(4-amino-2-methoxyphenoxy)acetate
CID 58858064
phenyl 2-ethoxy-3-[4-methoxy-3-[(4-phenoxyphenyl)methoxy]phenyl]propanoate
CID 139894806
tert-butyl (3R)-3-[(3,4-dimethoxyphenyl)methyl]-4-hydroxybutanoate
CID 172822587
2-chloro-1-(3-ethoxy-4-methoxyphenyl)-4,4-dimethylpentan-3-one
CID 82184943
ethyl 2-[4-(2-amino-3-hydroxypropyl)-2-methoxyphenoxy]acetate;hydrochloride
CID 170891770
ethyl 2-[5-(hydroxymethyl)-2-methoxyphenoxy]butanoate
CID 64662769
tert-butyl 2-(4-ethyl-2-iodophenoxy)acetate
CID 86005684
ethyl 3-chloro-4-(3,4-dimethoxyphenyl)butanoate
CID 82352130
3-[3-[(3-chlorophenyl)methoxy]-4-methoxyphenyl]-2-ethoxypropanoic acid
CID 139894799

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethoxy-3-[4-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]propanoate?
The IUPAC name of ethyl 2-ethoxy-3-[4-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]propanoate (CID 139894773) is ethyl 2-ethoxy-3-[4-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]propanoate.
What is the SMILES notation for ethyl 2-ethoxy-3-[4-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]propanoate?
The canonical SMILES for ethyl 2-ethoxy-3-[4-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]propanoate is CCOC(=O)C(Cc1ccc(OC)c(OCC(=O)OC(C)(C)C)c1)OCC.
What is the InChIKey of ethyl 2-ethoxy-3-[4-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]propanoate?
The InChIKey is OXTZVRDKZHPZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O7/c1-7-24-17(19(22)25-8-2)12-14-9-10-15(23-6)16(11-14)26-13-18(21)27-20(3,4)5/h9-11,17H,7-8,12-13H2,1-6H3.
What are the key properties of ethyl 2-ethoxy-3-[4-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]propanoate?
ethyl 2-ethoxy-3-[4-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]propanoate has a molecular weight of 382.45 g/mol, XLogP of 2.93, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethoxy-3-[4-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]propanoate is sourced from PubChem (CID 139894773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).