[2-oxo-2-(4-propan-2-ylphenyl)ethyl] 3-(2,3-dimethoxyphenyl)propanoate

C22H26O5 — CID 55368657

IUPAC[2-oxo-2-(4-propan-2-ylphenyl)ethyl] 3-(2,3-dimethoxyphenyl)propanoate
SMILESCOc1cccc(CCC(=O)OCC(=O)c2ccc(C(C)C)cc2)c1OC
InChIInChI=1S/C22H26O5/c1-15(2)16-8-10-17(11-9-16)19(23)14-27-21(24)13-12-18-6-5-7-20(25-3)22(18)26-4/h5-11,15H,12-14H2,1-4H3
InChIKeyWMMZJXWDJSFGFO-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.19
Rot. Bonds9

About [2-oxo-2-(4-propan-2-ylphenyl)ethyl] 3-(2,3-dimethoxyphenyl)propanoate

[2-oxo-2-(4-propan-2-ylphenyl)ethyl] 3-(2,3-dimethoxyphenyl)propanoate (PubChem CID 55368657) has the molecular formula C22H26O5 and a molecular weight of 370.45 g/mol. Its IUPAC name is [2-oxo-2-(4-propan-2-ylphenyl)ethyl] 3-(2,3-dimethoxyphenyl)propanoate.

Molecular Properties

Compound Name[2-oxo-2-(4-propan-2-ylphenyl)ethyl] 3-(2,3-dimethoxyphenyl)propanoate
PubChem CID55368657
Molecular FormulaC22H26O5
Molecular Weight370.45 g/mol
Exact Mass370.18
IUPAC Name[2-oxo-2-(4-propan-2-ylphenyl)ethyl] 3-(2,3-dimethoxyphenyl)propanoate
SMILESCOc1cccc(CCC(=O)OCC(=O)c2ccc(C(C)C)cc2)c1OC
InChIInChI=1S/C22H26O5/c1-15(2)16-8-10-17(11-9-16)19(23)14-27-21(24)13-12-18-6-5-7-20(25-3)22(18)26-4/h5-11,15H,12-14H2,1-4H3
InChIKeyWMMZJXWDJSFGFO-UHFFFAOYSA-N
XLogP4.19
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-ethoxyphenyl)-2-oxoethyl] 3-(2,3-dimethoxyphenyl)propanoate
CID 55368789
[2-oxo-2-(4-propan-2-ylphenyl)ethyl] (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate
CID 8873088
2-hydroxyethyl 3-(2,3-dimethoxyphenyl)propanoate
CID 55563336
[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 7871049
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(2,3-dimethoxyphenyl)propanoate
CID 55368948
[2-(6-methylheptan-2-ylamino)-2-oxoethyl] 3-(2,3-dimethoxyphenyl)propanoate
CID 55404199
2-phenylethyl 3-(2,3-dimethoxyphenyl)propanoate
CID 66702130
[2-oxo-2-(pentylamino)ethyl] 3-(2,3-dimethoxyphenyl)propanoate
CID 55404179
(3-chlorophenyl)methyl 3-(2,3-dimethoxyphenyl)propanoate
CID 55368923
(6-chloro-3-pyridinyl)methyl 3-(2,3-dimethoxyphenyl)propanoate
CID 55546324
[2-[4-(acetamidomethyl)phenyl]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 9455619
1-amino-4-(2,3-dimethoxyphenyl)butan-2-one;hydrochloride
CID 67393300

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-propan-2-ylphenyl)ethyl] 3-(2,3-dimethoxyphenyl)propanoate?
The IUPAC name of [2-oxo-2-(4-propan-2-ylphenyl)ethyl] 3-(2,3-dimethoxyphenyl)propanoate (CID 55368657) is [2-oxo-2-(4-propan-2-ylphenyl)ethyl] 3-(2,3-dimethoxyphenyl)propanoate.
What is the SMILES notation for [2-oxo-2-(4-propan-2-ylphenyl)ethyl] 3-(2,3-dimethoxyphenyl)propanoate?
The canonical SMILES for [2-oxo-2-(4-propan-2-ylphenyl)ethyl] 3-(2,3-dimethoxyphenyl)propanoate is COc1cccc(CCC(=O)OCC(=O)c2ccc(C(C)C)cc2)c1OC.
What is the InChIKey of [2-oxo-2-(4-propan-2-ylphenyl)ethyl] 3-(2,3-dimethoxyphenyl)propanoate?
The InChIKey is WMMZJXWDJSFGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O5/c1-15(2)16-8-10-17(11-9-16)19(23)14-27-21(24)13-12-18-6-5-7-20(25-3)22(18)26-4/h5-11,15H,12-14H2,1-4H3.
What are the key properties of [2-oxo-2-(4-propan-2-ylphenyl)ethyl] 3-(2,3-dimethoxyphenyl)propanoate?
[2-oxo-2-(4-propan-2-ylphenyl)ethyl] 3-(2,3-dimethoxyphenyl)propanoate has a molecular weight of 370.45 g/mol, XLogP of 4.19, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-propan-2-ylphenyl)ethyl] 3-(2,3-dimethoxyphenyl)propanoate is sourced from PubChem (CID 55368657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).