Basic information
- Standard SMILES
Cc1cc(C2(c3ccc(OCC(=O)C(C)(C)C)c(C)c3)CCCCC2)ccc1OCC(=O)C(C)(C)C- InChIKey
LHIDEEADXIZBIN-UHFFFAOYSA-N- Molecular formula
- C32H44O4
- Average molar mass
- 492.7 g/mol
Overview
functionally analog of vitamin D; structure in first source
Names & identifiers
- Preferred name
- LG190119
- IUPAC
- 1-[4-[1-[4-(3,3-dimethyl-2-oxobutoxy)-3-methylphenyl]cyclohexyl]-2-methylphenoxy]-3,3-dimethylbutan-2-one
Names & synonyms
LG190119RefChem:924716LG 190119233268-77-41,1-bis[3-methyl-4-(3,3-dimethyl-2-oxobutoxy)phenyl]cyclohexane1-[4-[1-[4-(3,3-dimethyl-2-oxobutoxy)-3-methylphenyl]cyclohexyl]-2-methylphenoxy]-3,3-dimethylbutan-2-oneorb1703138SCHEMBL3392824CHEMBL4065894SCHEMBL29754308BDBM36719LHIDEEADXIZBIN-UHFFFAOYSA-N
Show more names
AKOS040746072HY-119586T24407
Database identifiers
- PubChem CID
- 9891850
- ChEMBL
CHEMBL4065894- Nikkaji
- J1.846.332F
Properties
Computed structural properties
- XLogP
- 9.1
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 680
Related reactions
1 records
Compound notes
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