2-Methoxy-5-(3-methylbut-2-enyl)benzene-1,4-diol
Basic information
- CAS
80464-90-0- Standard SMILES
COc1cc(O)c(CC=C(C)C)cc1O- InChIKey
DYPJHBZGSJINJI-UHFFFAOYSA-N- Molecular formula
- C12H16O3
- Average molar mass
- 208.25 g/mol
- Monoisotopic mass
- 208.10994437
Names & identifiers
- Preferred name
- 2-Methoxy-5-(3-methylbut-2-enyl)benzene-1,4-diol
- IUPAC
- 2-methoxy-5-(3-methylbut-2-enyl)benzene-1,4-diol
Names & synonyms
NSC33988780464-90-02-methoxy-5-(3-methylbut-2-enyl)benzene-1,4-diol2-methoxy-5-(3-methyl-2-butenyl)hydroquinoneSCHEMBL9788485DTXSID60319105DYPJHBZGSJINJI-UHFFFAOYSA-NNSC-339887DS-0042142-Methoxy-5-(3-methylbut-2-en-1-yl)benzene-1,4-diol
Database identifiers
- CAS
80464-90-0- PubChem CID
- 334496
- DTXSID
DTXSID60319105
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 221
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Related reactions
2 records
Compound notes
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