2,4,6-Trichloro-3-Hydroxybibenzyl
Basic information
- CAS
681456-07-5- Standard SMILES
Oc1c(Cl)cc(Cl)c(CCc2ccccc2)c1Cl- InChIKey
NBHKKIREHHFVBH-UHFFFAOYSA-N- Molecular formula
- C14H11Cl3O
- Average molar mass
- 301.6 g/mol
- Monoisotopic mass
- 299.987548
Overview
antimicrobial chlorinated bibenzyl from the liverwort Riccardia marginata; structure in first source
Names & identifiers
- Preferred name
- 2,4,6-Trichloro-3-Hydroxybibenzyl
- IUPAC
- 2,4,6-trichloro-3-(2-phenylethyl)phenol
Names & synonyms
2,4,6-trichloro-3-(2-phenylethyl)phenol2,4,6-Trichloro-3-hydroxybibenzylRefChem:908702Phenol, 2,4,6-trichloro-3-(2-phenylethyl)-681456-07-5CHEMBL454754DTXSID203884532,4,6-trichloro-3-phenethyl-phenol
Database identifiers
- CAS
681456-07-5- PubChem CID
- 3013330
- DTXSID
DTXSID20388453- ChEMBL
CHEMBL454754- Nikkaji
- J2.048.219B
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 255
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Compound notes
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