4-((4-Methoxyphenyl)methyl)phenol
Basic information
- CAS
21388-77-2- Standard SMILES
COc1ccc(Cc2ccc(O)cc2)cc1- InChIKey
XOTIMSKNZMRPGK-UHFFFAOYSA-N- Molecular formula
- C14H14O2
- Average molar mass
- 214.26 g/mol
- Monoisotopic mass
- 214.09937969
Names & identifiers
- Preferred name
- 4-((4-Methoxyphenyl)methyl)phenol
- IUPAC
- 4-[(4-methoxyphenyl)methyl]phenol
Names & synonyms
4-[(4-methoxyphenyl)methyl]phenol21388-77-24-((4-Methoxyphenyl)methyl)phenolRefChem:10696564-(4-methoxybenzyl)phenolphenol, 4-[(4-methoxyphenyl)methyl]-NSC 165598NSC165598Oprea1_312486SCHEMBL3417942DTXSID60304394MFCD00546836
Show more names
NSC-165598NS00004834InChI=1/C14H14O2/c1-16-14-8-4-12(5-9-14)10-11-2-6-13(15)7-3-11/h2-9,15H,10H2,1H
Database identifiers
- CAS
21388-77-2- PubChem CID
- 295950
- DTXSID
DTXSID60304394- Nikkaji
- J2.132.778F
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 189
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Endocrine DisruptorsPotential endocrine disrupting compound
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Related reactions
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Compound notes
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