3,4-Bis(4-methoxyphenyl)hexane-3,4-diol
Basic information
- CAS
7499-29-8- Standard SMILES
CCC(O)(c1ccc(OC)cc1)C(O)(CC)c1ccc(OC)cc1- InChIKey
VJQGJQJEDTZCKS-UHFFFAOYSA-N- Molecular formula
- C20H26O4
- Average molar mass
- 330.4 g/mol
- Monoisotopic mass
- 330.18310931
Names & identifiers
- Preferred name
- 3,4-Bis(4-methoxyphenyl)hexane-3,4-diol
- IUPAC
- 3,4-bis(4-methoxyphenyl)hexane-3,4-diol
Names & synonyms
3,4-bis(4-methoxyphenyl)hexane-3,4-diol7499-29-8DTXSID50324748RefChem:270686DTXCID30275865NSC407640Oprea1_534000NSC-4076403,4-bis(4-methoxyphenyl)-3,4-hexanediolAJ-333/36117020
Database identifiers
- CAS
7499-29-8- PubChem CID
- 348369
- DTXSID
DTXSID50324748
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 336
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Compound notes
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