methyl 2-[4-ethoxy-1-[2-oxo-3-(2,4,6-trimethylphenyl)propyl]cyclohexyl]acetate

C23H34O4 — CID 22124247

IUPACmethyl 2-[4-ethoxy-1-[2-oxo-3-(2,4,6-trimethylphenyl)propyl]cyclohexyl]acetate
SMILESCCOC1CCC(CC(=O)Cc2c(C)cc(C)cc2C)(CC(=O)OC)CC1
InChIInChI=1S/C23H34O4/c1-6-27-20-7-9-23(10-8-20,15-22(25)26-5)14-19(24)13-21-17(3)11-16(2)12-18(21)4/h11-12,20H,6-10,13-15H2,1-5H3
InChIKeyMSGIGYJISYWZBB-UHFFFAOYSA-N
MW374.52 g/mol
LogP4.64
Rot. Bonds8

About methyl 2-[4-ethoxy-1-[2-oxo-3-(2,4,6-trimethylphenyl)propyl]cyclohexyl]acetate

methyl 2-[4-ethoxy-1-[2-oxo-3-(2,4,6-trimethylphenyl)propyl]cyclohexyl]acetate (PubChem CID 22124247) has the molecular formula C23H34O4 and a molecular weight of 374.52 g/mol. Its IUPAC name is methyl 2-[4-ethoxy-1-[2-oxo-3-(2,4,6-trimethylphenyl)propyl]cyclohexyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-ethoxy-1-[2-oxo-3-(2,4,6-trimethylphenyl)propyl]cyclohexyl]acetate
PubChem CID22124247
Molecular FormulaC23H34O4
Molecular Weight374.52 g/mol
Exact Mass374.25
IUPAC Namemethyl 2-[4-ethoxy-1-[2-oxo-3-(2,4,6-trimethylphenyl)propyl]cyclohexyl]acetate
SMILESCCOC1CCC(CC(=O)Cc2c(C)cc(C)cc2C)(CC(=O)OC)CC1
InChIInChI=1S/C23H34O4/c1-6-27-20-7-9-23(10-8-20,15-22(25)26-5)14-19(24)13-21-17(3)11-16(2)12-18(21)4/h11-12,20H,6-10,13-15H2,1-5H3
InChIKeyMSGIGYJISYWZBB-UHFFFAOYSA-N
XLogP4.64
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.52
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-ethoxy-1-[2-oxo-3-(2,4,6-trimethylphenyl)propyl]cyclohexyl]acetate?
The IUPAC name of methyl 2-[4-ethoxy-1-[2-oxo-3-(2,4,6-trimethylphenyl)propyl]cyclohexyl]acetate (CID 22124247) is methyl 2-[4-ethoxy-1-[2-oxo-3-(2,4,6-trimethylphenyl)propyl]cyclohexyl]acetate.
What is the SMILES notation for methyl 2-[4-ethoxy-1-[2-oxo-3-(2,4,6-trimethylphenyl)propyl]cyclohexyl]acetate?
The canonical SMILES for methyl 2-[4-ethoxy-1-[2-oxo-3-(2,4,6-trimethylphenyl)propyl]cyclohexyl]acetate is CCOC1CCC(CC(=O)Cc2c(C)cc(C)cc2C)(CC(=O)OC)CC1.
What is the InChIKey of methyl 2-[4-ethoxy-1-[2-oxo-3-(2,4,6-trimethylphenyl)propyl]cyclohexyl]acetate?
The InChIKey is MSGIGYJISYWZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34O4/c1-6-27-20-7-9-23(10-8-20,15-22(25)26-5)14-19(24)13-21-17(3)11-16(2)12-18(21)4/h11-12,20H,6-10,13-15H2,1-5H3.
What are the key properties of methyl 2-[4-ethoxy-1-[2-oxo-3-(2,4,6-trimethylphenyl)propyl]cyclohexyl]acetate?
methyl 2-[4-ethoxy-1-[2-oxo-3-(2,4,6-trimethylphenyl)propyl]cyclohexyl]acetate has a molecular weight of 374.52 g/mol, XLogP of 4.64, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-ethoxy-1-[2-oxo-3-(2,4,6-trimethylphenyl)propyl]cyclohexyl]acetate is sourced from PubChem (CID 22124247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).