[(1R,2S)-2-(3-acetyl-2,4,6-trimethoxyphenyl)cyclohexyl] acetate

C19H26O6 — CID 22868491

IUPAC[(1R,2S)-2-(3-acetyl-2,4,6-trimethoxyphenyl)cyclohexyl] acetate
SMILESCOc1cc(OC)c([C@@H]2CCCC[C@H]2OC(C)=O)c(OC)c1C(C)=O
InChIInChI=1S/C19H26O6/c1-11(20)17-15(22-3)10-16(23-4)18(19(17)24-5)13-8-6-7-9-14(13)25-12(2)21/h10,13-14H,6-9H2,1-5H3/t13-,14-/m1/s1
InChIKeyHVXOEUCVUSRVNV-ZIAGYGMSSA-N
MW350.41 g/mol
LogP3.50
Rot. Bonds6

About [(1R,2S)-2-(3-acetyl-2,4,6-trimethoxyphenyl)cyclohexyl] acetate

[(1R,2S)-2-(3-acetyl-2,4,6-trimethoxyphenyl)cyclohexyl] acetate (PubChem CID 22868491) has the molecular formula C19H26O6 and a molecular weight of 350.41 g/mol. Its IUPAC name is [(1R,2S)-2-(3-acetyl-2,4,6-trimethoxyphenyl)cyclohexyl] acetate.

Molecular Properties

Compound Name[(1R,2S)-2-(3-acetyl-2,4,6-trimethoxyphenyl)cyclohexyl] acetate
PubChem CID22868491
Molecular FormulaC19H26O6
Molecular Weight350.41 g/mol
Exact Mass350.17
IUPAC Name[(1R,2S)-2-(3-acetyl-2,4,6-trimethoxyphenyl)cyclohexyl] acetate
SMILESCOc1cc(OC)c([C@@H]2CCCC[C@H]2OC(C)=O)c(OC)c1C(C)=O
InChIInChI=1S/C19H26O6/c1-11(20)17-15(22-3)10-16(23-4)18(19(17)24-5)13-8-6-7-9-14(13)25-12(2)21/h10,13-14H,6-9H2,1-5H3/t13-,14-/m1/s1
InChIKeyHVXOEUCVUSRVNV-ZIAGYGMSSA-N
XLogP3.50
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(1R,2S)-2-(3-acetyl-2,4,6-trimethoxyphenyl)cyclohexyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-(3-acetyl-2,4,6-trimethoxyphenyl)cyclohexyl] acetate?
The IUPAC name of [(1R,2S)-2-(3-acetyl-2,4,6-trimethoxyphenyl)cyclohexyl] acetate (CID 22868491) is [(1R,2S)-2-(3-acetyl-2,4,6-trimethoxyphenyl)cyclohexyl] acetate.
What is the SMILES notation for [(1R,2S)-2-(3-acetyl-2,4,6-trimethoxyphenyl)cyclohexyl] acetate?
The canonical SMILES for [(1R,2S)-2-(3-acetyl-2,4,6-trimethoxyphenyl)cyclohexyl] acetate is COc1cc(OC)c([C@@H]2CCCC[C@H]2OC(C)=O)c(OC)c1C(C)=O.
What is the InChIKey of [(1R,2S)-2-(3-acetyl-2,4,6-trimethoxyphenyl)cyclohexyl] acetate?
The InChIKey is HVXOEUCVUSRVNV-ZIAGYGMSSA-N. The full InChI is InChI=1S/C19H26O6/c1-11(20)17-15(22-3)10-16(23-4)18(19(17)24-5)13-8-6-7-9-14(13)25-12(2)21/h10,13-14H,6-9H2,1-5H3/t13-,14-/m1/s1.
What are the key properties of [(1R,2S)-2-(3-acetyl-2,4,6-trimethoxyphenyl)cyclohexyl] acetate?
[(1R,2S)-2-(3-acetyl-2,4,6-trimethoxyphenyl)cyclohexyl] acetate has a molecular weight of 350.41 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-(3-acetyl-2,4,6-trimethoxyphenyl)cyclohexyl] acetate is sourced from PubChem (CID 22868491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).