4-[4-(4-Methoxyphenyl)hexan-3-yl]phenol
Basic information
- CAS
13026-26-1- Standard SMILES
CCC(c1ccc(O)cc1)C(CC)c1ccc(OC)cc1- InChIKey
ITRDPYNINWIWLM-UHFFFAOYSA-N- Molecular formula
- C19H24O2
- Average molar mass
- 284.4 g/mol
- Monoisotopic mass
- 284.17763
Names & identifiers
- Preferred name
- 4-[4-(4-Methoxyphenyl)hexan-3-yl]phenol
- IUPAC
- 4-[4-(4-methoxyphenyl)hexan-3-yl]phenol
Names & synonyms
CHEMBL196732mono-methylether hexestrol4-[4-(4-methoxyphenyl)hexan-3-yl]phenolHexestrol, methyl etherPhenol, (R*,S*)4-[1-ethyl-2-(4-methoxyphenyl)butyl]phenolHexestrol, monomethyl etherNSC19200BDBM50410529SKI 24021Phenol,.beta.-diethyl-p-methoxyphenethyl)-
Database identifiers
- CAS
13026-26-1- PubChem CID
- 227569
- DTXSID
DTXSID9022497- ChEMBL
CHEMBL196732- Nikkaji
- J1.376.095K
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 275
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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