Diferulic acid

3-[3-[5-(2-carboxyethenyl)-2-hydroxy-3-methoxyphenyl]-4-hydroxy-5-methoxyphenyl]prop-2-enoic acid

Also Known As: Diferulic acid|3,3'-(6,6'-Dihydroxy-5,5'-dimethoxy[1,1'-biphenyl]-3,3'-diyl)di(prop-2-enoic acid)|3-[3-[5-(2-carboxyethenyl)-2-hydroxy-3-methoxyphenyl]-4-hydroxy-5-methoxyphenyl]prop-2-enoic acid|(2E,2'E)-3,3'-(6,6'-dihydroxy-5,5'-dimethoxy-[1,1'-biphenyl]-3,3'-diyl)diacrylic acid|2-Propenoic acid,3,3'-(6,6'-dihydroxy-5,5'-dimethoxy[1,1'-biphenyl]-3,3'-diyl)bis-|3,3'-(6,6'-Dihydroxy-5,5'-dimethoxy-[1,1'-biphenyl]-3,3'-diyl)diacrylic acid|2-Propenoic acid,3,3'-(6,6'-dihydroxy-5,5'-dimethoxy[1,1'-biphenyl]-3,3'-diyl)bis-, (2E,2'E)-|3-[4-hydroxy-3-[2-hydroxy-5-(3-hydroxy-3-oxoprop-1-enyl)-3-methoxyphenyl]-5-methoxyphenyl]prop-2-enoic acid

Molecular Formula	C20H18O8
Molecular Weight	386.10016 g/mol
LogP	2.7
Topological Polar Surface Area	134.0 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	8
Rotatable Bonds	7
Exact Mass	386.10016
Monoisotopic Mass	386.10016
Heavy Atoms	28
Complexity	549.0

Chemical Identifiers

CAS Number	5649-91-2
SMILES	COC1=CC(=CC(=C1O)C2=C(C(=CC(=C2)C=CC(=O)O)OC)O)C=CC(=O)O
InChIKey	LBQZVWQOPFFQJI-UHFFFAOYSA-N