Phenol, 4-[(hexyloxy)methyl]-2-methoxy-
Basic information
- CAS
81995-42-8- Standard SMILES
CCCCCCOCc1ccc(O)c(OC)c1- InChIKey
HLDUYDHBVPGMRO-UHFFFAOYSA-N- Molecular formula
- C14H22O3
- Average molar mass
- 238.32 g/mol
- Monoisotopic mass
- 238.15689456
Names & identifiers
- Preferred name
- Phenol, 4-[(hexyloxy)methyl]-2-methoxy-
- IUPAC
- 4-(hexoxymethyl)-2-methoxyphenol
Names & synonyms
81995-42-84-[(HEXYLOXY)METHYL]-2-METHOXYPHENOLPhenol, 4-[(hexyloxy)methyl]-2-methoxy-SCHEMBL117978SCHEMBL29873336DTXSID40475334DB-166771
Database identifiers
- CAS
81995-42-8- PubChem CID
- 11990366
- DTXSID
DTXSID40475334- Nikkaji
- J2.356.529C
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 184
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Compound notes
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