4-[p-(Acetyloxy)phenyl]-5-ethyl-6-methyl-3-cyclohexene-1-carboxylic acid
Basic information
- CAS
21161-63-7- Standard SMILES
CCC1C(c2ccc(OC(C)=O)cc2)=CCC(C(=O)O)C1C- InChIKey
OULOHBXDGDQASL-UHFFFAOYSA-N- Molecular formula
- C18H22O4
- Average molar mass
- 302.4 g/mol
- Monoisotopic mass
- 302.15180918
Names & identifiers
- Preferred name
- 4-[p-(Acetyloxy)phenyl]-5-ethyl-6-methyl-3-cyclohexene-1-carboxylic acid
- IUPAC
- 4-(4-acetyloxyphenyl)-5-ethyl-6-methylcyclohex-3-ene-1-carboxylic acid
- English name
- 4-[p-(Acetyloxy)phenyl]-5-ethyl-6-methyl-3-cyclohexene-1-carboxylic acid
- Molecular formula
- C18H22O4
- Molecular weight
- 302.36
Names & synonyms
21161-63-73-Cyclohexene-1-carboxylic acid, 5-ethyl-4-(p-hydroxyphenyl)-6-methyl-, acetate (ester)ORF 55294-[p-(Acetyloxy)phenyl]-5-ethyl-6-methyl-3-cyclohexene-1-carboxylic acidBRN 2875587SW466MF9FTDTXSID809434862-Methyl-3-ethyl-4-p-acetoxyphenyl-delta(sup 4)-cyclohexene carboxylic acid5-Ethyl-4-(p-hydroxyphenyl)-6-methyl-3-cyclohexene-1-carboxylic acid acetate (ester)4-[4-(Acetyloxy)phenyl]-5-ethyl-6-methyl-3-cyclohexene-1-carboxylic acid3-Cyclohexene-1-carboxylic acid, 4-[4-(acetyloxy)phenyl]-5-ethyl-6-methyl-4'-(Acetyloxy)-2-ethyl-3-methyl-2,3,4,5-tetrahydro[1,1'-biphenyl]-4-carboxylic acid
Show more names
ORF-5529
Database identifiers
- CAS
21161-63-7- PubChem CID
- 210215
- DTXSID
DTXSID80943486- UNII
- SW466MF9FT
- Nikkaji
- J72.725C
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 446
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…