2-(4-Methoxy-6-methyl-2-pyrimidinyloxy)-3-(2-(3,4-dimethoxyphenyl)ethoxy)-3,3-di(4-ethylphenyl)propionic Acid
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Basic information
- Standard SMILES
CCc1ccc(C(OCCc2ccc(OC)c(OC)c2)(c2ccc(CC)cc2)C(Oc2nc(C)cc(OC)n2)C(=O)O)cc1- InChIKey
UTSWGARHIRATMS-UHFFFAOYSA-N- Molecular formula
- C35H40N2O7
- Average molar mass
- 600.7 g/mol
Names & identifiers
- Preferred name
- 2-(4-Methoxy-6-methyl-2-pyrimidinyloxy)-3-(2-(3,4-dimethoxyphenyl)ethoxy)-3,3-di(4-ethylphenyl)propionic Acid
- IUPAC
- 3-[2-(3,4-dimethoxyphenyl)ethoxy]-3,3-bis(4-ethylphenyl)-2-(4-methoxy-6-methylpyrimidin-2-yl)oxypropanoic acid
Names & synonyms
CHEMBL318535SCHEMBL7246614UTSWGARHIRATMS-UHFFFAOYSA-NBDBM500794162-(4-Methoxy-6-methyl-2-pyrimidinyloxy)-3-(2-(3,4-dimethoxyphenyl)ethoxy)-3,3-di(4-ethylphenyl)propionic Acid3-[2-(3,4-Dimethoxy-phenyl)-ethoxy]-3,3-bis-(4-ethyl-phenyl)-2-(4-methoxy-6-methyl-pyrimidin-2-yloxy)-propionic acid
Database identifiers
- PubChem CID
- 10769887
- ChEMBL
CHEMBL318535- Nikkaji
- J1.163.223H
Properties
Computed structural propertiesFilling in
- XLogP
- 7.2
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 15
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 821
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Related reactions
2 records
Compound notes
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