[2-(4-ethylphenyl)-2-oxoethyl] 4-methoxybenzoate

C18H18O4 — CID 902766

IUPAC[2-(4-ethylphenyl)-2-oxoethyl] 4-methoxybenzoate
SMILESCCc1ccc(C(=O)COC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H18O4/c1-3-13-4-6-14(7-5-13)17(19)12-22-18(20)15-8-10-16(21-2)11-9-15/h4-11H,3,12H2,1-2H3
InChIKeyJQKXCTAOURJWNE-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.30
Rot. Bonds6

About [2-(4-ethylphenyl)-2-oxoethyl] 4-methoxybenzoate

[2-(4-ethylphenyl)-2-oxoethyl] 4-methoxybenzoate (PubChem CID 902766) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is [2-(4-ethylphenyl)-2-oxoethyl] 4-methoxybenzoate.

Molecular Properties

Compound Name[2-(4-ethylphenyl)-2-oxoethyl] 4-methoxybenzoate
PubChem CID902766
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Name[2-(4-ethylphenyl)-2-oxoethyl] 4-methoxybenzoate
SMILESCCc1ccc(C(=O)COC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H18O4/c1-3-13-4-6-14(7-5-13)17(19)12-22-18(20)15-8-10-16(21-2)11-9-15/h4-11H,3,12H2,1-2H3
InChIKeyJQKXCTAOURJWNE-UHFFFAOYSA-N
XLogP3.30
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-ethylphenyl)-2-oxoethyl] 4-methylbenzoate
CID 902784
[2-(4-methoxyphenyl)-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate
CID 7834012
1-(4-ethylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione
CID 18428800
[2-(4-bromophenyl)-2-oxoethyl] 4-ethylbenzoate
CID 874966
[2-(4-methoxyphenyl)-2-oxoethyl] 4-(dimethylamino)benzoate
CID 2346667
[2-(4-methoxyphenyl)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 7133621
[4-(4-methoxybenzoyl)oxyphenyl] 4-ethylbenzoate
CID 118103231
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-methoxybenzoate
CID 2510229
[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 4-ethylbenzoate
CID 16525161
ethyl 4-methoxybenzoate;hydrochloride
CID 143432301
[2-(4-methoxyphenyl)-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 7991637
[2-(4-methoxyphenyl)-2-oxoethyl] 2-hydroxypropanoate
CID 70980265

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethylphenyl)-2-oxoethyl] 4-methoxybenzoate?
The IUPAC name of [2-(4-ethylphenyl)-2-oxoethyl] 4-methoxybenzoate (CID 902766) is [2-(4-ethylphenyl)-2-oxoethyl] 4-methoxybenzoate.
What is the SMILES notation for [2-(4-ethylphenyl)-2-oxoethyl] 4-methoxybenzoate?
The canonical SMILES for [2-(4-ethylphenyl)-2-oxoethyl] 4-methoxybenzoate is CCc1ccc(C(=O)COC(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of [2-(4-ethylphenyl)-2-oxoethyl] 4-methoxybenzoate?
The InChIKey is JQKXCTAOURJWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O4/c1-3-13-4-6-14(7-5-13)17(19)12-22-18(20)15-8-10-16(21-2)11-9-15/h4-11H,3,12H2,1-2H3.
What are the key properties of [2-(4-ethylphenyl)-2-oxoethyl] 4-methoxybenzoate?
[2-(4-ethylphenyl)-2-oxoethyl] 4-methoxybenzoate has a molecular weight of 298.34 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethylphenyl)-2-oxoethyl] 4-methoxybenzoate is sourced from PubChem (CID 902766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).