Basic information
- Standard SMILES
COc1cc(O)ccc1CCCc1ccc(O)cc1- InChIKey
CJJJQWAYMRTLJT-UHFFFAOYSA-N- Molecular formula
- C16H18O3
- Average molar mass
- 258.31 g/mol
Overview
4-[3-(4-hydroxyphenyl)propyl]-3-methoxyphenol has been reported in Polygonum maritimum, Broussonetia papyrifera, and other organisms with data available.
Names & identifiers
- Preferred name
- Broussonin B
- IUPAC
- 4-[3-(4-hydroxyphenyl)propyl]-3-methoxyphenol
Names & synonyms
Broussonin B73731-86-94-[3-(4-hydroxyphenyl)propyl]-3-methoxyphenol4-(3-(4-Hydroxyphenyl)propyl)-3-methoxyphenolRefChem:121698BroussoninBCHEMBL463454orb1681078SCHEMBL6822049CJJJQWAYMRTLJT-UHFFFAOYSA-NGLXC-18487HY-N2961
Show more names
YCA73186BDBM50380997TN5655AKOS032948864FS-9269DA-603144-3-(4-ydroxyphenyl)ropyl]-3-ethoxyphenolCS-0023595
Database identifiers
- PubChem CID
- 5315503
- ChEMBL
CHEMBL463454- Nikkaji
- J1.623.746I
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 248
Related reactions
1 records
Compound notes
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