methyl 2-(2-benzoyl-6-ethyl-3,5-dihydroxyphenyl)acetate

C18H18O5 — CID 11995674

IUPACmethyl 2-(2-benzoyl-6-ethyl-3,5-dihydroxyphenyl)acetate
SMILESCCc1c(O)cc(O)c(C(=O)c2ccccc2)c1CC(=O)OC
InChIInChI=1S/C18H18O5/c1-3-12-13(9-16(21)23-2)17(15(20)10-14(12)19)18(22)11-7-5-4-6-8-11/h4-8,10,19-20H,3,9H2,1-2H3
InChIKeyILVHXEKOXYXQHN-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.61
Rot. Bonds5

About methyl 2-(2-benzoyl-6-ethyl-3,5-dihydroxyphenyl)acetate

methyl 2-(2-benzoyl-6-ethyl-3,5-dihydroxyphenyl)acetate (PubChem CID 11995674) has the molecular formula C18H18O5 and a molecular weight of 314.34 g/mol. Its IUPAC name is methyl 2-(2-benzoyl-6-ethyl-3,5-dihydroxyphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-benzoyl-6-ethyl-3,5-dihydroxyphenyl)acetate
PubChem CID11995674
Molecular FormulaC18H18O5
Molecular Weight314.34 g/mol
Exact Mass314.12
IUPAC Namemethyl 2-(2-benzoyl-6-ethyl-3,5-dihydroxyphenyl)acetate
SMILESCCc1c(O)cc(O)c(C(=O)c2ccccc2)c1CC(=O)OC
InChIInChI=1S/C18H18O5/c1-3-12-13(9-16(21)23-2)17(15(20)10-14(12)19)18(22)11-7-5-4-6-8-11/h4-8,10,19-20H,3,9H2,1-2H3
InChIKeyILVHXEKOXYXQHN-UHFFFAOYSA-N
XLogP2.61
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)acetate
CID 87660795
(2,4-diethyl-3-fluoro-6-hydroxyphenyl)-phenylmethanone
CID 102273470
methyl 2-[2-ethyl-3,5-dihydroxy-6-[2-methoxyethyl(methyl)carbamoyl]phenyl]acetate
CID 11529918
1-phenyl-2-(2,3,4-triethyl-5-hydroxyphenyl)ethane-1,2-dione
CID 18520311
2-[2-ethyl-3,5-dihydroxy-6-(4-methoxybenzoyl)phenyl]-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 23116449
methyl 2-(2-benzoyl-3-hydroxyphenoxy)acetate
CID 10827050
(2-benzoyl-3,4-diethylphenyl)-phenylmethanone
CID 175879744
methyl 2-(3,4-diethyl-2-hydroxyphenyl)acetate
CID 67691350
methyl 3-benzamido-3-oxopropanoate
CID 11345054
N-ethoxy-2-[2-ethyl-3,5-dihydroxy-6-[4-(trifluoromethoxy)benzoyl]phenyl]-N-(2-methoxyethyl)acetamide
CID 175270384
methyl 2-(2-hydroxy-5-phenylphenyl)acetate
CID 174533369
methyl 2-[2-ethyl-6-(4-methoxybenzoyl)-3,5-bis(prop-2-enoxy)phenyl]acetate
CID 87446533

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-benzoyl-6-ethyl-3,5-dihydroxyphenyl)acetate?
The IUPAC name of methyl 2-(2-benzoyl-6-ethyl-3,5-dihydroxyphenyl)acetate (CID 11995674) is methyl 2-(2-benzoyl-6-ethyl-3,5-dihydroxyphenyl)acetate.
What is the SMILES notation for methyl 2-(2-benzoyl-6-ethyl-3,5-dihydroxyphenyl)acetate?
The canonical SMILES for methyl 2-(2-benzoyl-6-ethyl-3,5-dihydroxyphenyl)acetate is CCc1c(O)cc(O)c(C(=O)c2ccccc2)c1CC(=O)OC.
What is the InChIKey of methyl 2-(2-benzoyl-6-ethyl-3,5-dihydroxyphenyl)acetate?
The InChIKey is ILVHXEKOXYXQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O5/c1-3-12-13(9-16(21)23-2)17(15(20)10-14(12)19)18(22)11-7-5-4-6-8-11/h4-8,10,19-20H,3,9H2,1-2H3.
What are the key properties of methyl 2-(2-benzoyl-6-ethyl-3,5-dihydroxyphenyl)acetate?
methyl 2-(2-benzoyl-6-ethyl-3,5-dihydroxyphenyl)acetate has a molecular weight of 314.34 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-benzoyl-6-ethyl-3,5-dihydroxyphenyl)acetate is sourced from PubChem (CID 11995674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).