4-[(2r,3s)-3-[(3,4-Dihydroxyphenyl)methyl]-2-Methylbutyl]benzene-1,2-Diol
Basic information
- CAS
103185-28-0- Standard SMILES
C[C@@H](Cc1ccc(O)c(O)c1)[C@@H](C)Cc1ccc(O)c(O)c1- InChIKey
HCZKYJDFEPMADG-RYUDHWBXSA-N- Molecular formula
- C18H22O4
- Average molar mass
- 302.4 g/mol
- Monoisotopic mass
- 302.15180918
Overview
Nordihydroguaiaretate is a lignan.
Names & identifiers
- Preferred name
- 4-[(2r,3s)-3-[(3,4-Dihydroxyphenyl)methyl]-2-Methylbutyl]benzene-1,2-Diol
- IUPAC
- 4-[(2S,3S)-4-(3,4-dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol
Names & synonyms
7PZ73W4ZNRNordihydroguaiaretic acid, DL-Nordihydroguaiaretic acid, (+/-)-103185-28-0UNII-7PZ73W4ZNRnordihydroguaiaretate1,2-Benzenediol, 4,4'-(2,3-dimethyl-1,4-butanediyl)bis-, (R*,R*)-1,2-Benzenediol, 4,4'-((2R,3R)-2,3-dimethyl-1,4-butanediyl)bis-, rel-4-[(2r,3s)-3-[(3,4-Dihydroxyphenyl)methyl]-2-Methylbutyl]benzene-1,2-Diol3zqt30Z4-[(2S,3S)-4-(3,4-dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol
Show more names
CHEMBL4756087(+/-)-nordihydroguaiaretic acidCHEBI:174894PD132484Q272686974,4'-[(2S,3S)-2,3-dimethylbutane-1,4-diyl]dibenzene-1,2-diol4-[(2S,3S)-3-[(3,4-dihydroxyphenyl)methyl]-2-methylbutyl]benzene-1,2-diol
Database identifiers
- CAS
103185-28-0- PubChem CID
- 688035
- ChEMBL
CHEMBL4756087- ChEBI
CHEBI:174894- UNII
- 7PZ73W4ZNR
- Nikkaji
- J1.561.206A
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 303
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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