Basic information
- CAS
61440-52-6- Standard SMILES
CCCCCCCOc1ccc(CO)cc1- InChIKey
BMLPPYPVKNUKFX-UHFFFAOYSA-N- Molecular formula
- C14H22O2
- Average molar mass
- 222.32 g/mol
- Monoisotopic mass
- 222.16197994
Names & identifiers
- Preferred name
- 4-Heptyloxybenzyl alcohol
- IUPAC
- (4-heptoxyphenyl)methanol
Names & synonyms
4-heptyloxybenzyl alcohol61440-52-6p-Heptyloxybenzyl alcoholSCHEMBL9665213(4-heptyloxyphenyl)methan-1-olSCHEMBL10827064DTXSID30517555BMLPPYPVKNUKFX-UHFFFAOYSA-N[4-(HEPTYLOXY)PHENYL]METHANOLAKOS005291388ST51045494
Database identifiers
- CAS
61440-52-6- PubChem CID
- 13079697
- DTXSID
DTXSID30517555
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 151
Related reactions
8 records
Compound notes
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