Bioactive Compound Details

BioIDbio198800
NameBIS(2-ETHYLHEXYL)PHTHALATE
ChEMBL IDCHEMBL402794
Molecular FormulaC24H38O4
Molecular Weight390.56
Molecular Weight (Monoisotopic)390.277
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
SynonymsDi-(2-Ethylhexyl) Phthalate|Diethylhexylphthalate
SmilesCCCC[C@@H](CC)COC(=O)c1ccccc1C(=O)OC[C@@H](CC)CCCC
InchiInChI=1S/C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3/t19-,20+
Inchi KeyBJQHLKABXJIVAM-BGYRXZFFSA-N
Molecular SpeciesNone
Targets112.0
Bioactivities735.0
Np Likeness Score0.09
Records Key['2', 'BIS(2-ETHYLHEXYL)PHTHALATE', 'Diethylhexylphthalate (phthalate ester)', 'Diethylhexylphthalate', 'Diethylhexylphthalate', 'Diethylhexylphthalate (phthalate ester)', 'BIS(2-ETHYLHEXYL)PHTHALATE']
Records Name['di-(2-ethylhexyl) phthalate', 'Bis(2-Ethylhexyl)Phthalate', 'Diethylhexylphthalate (phthalate ester)', 'Diethylhexylphthalate', 'Diethylhexylphthalate', 'Diethylhexylphthalate', 'BIS(2-ETHYLHEXYL)PHTHALATE']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure