Basic information
- CAS
71548-83-9- Standard SMILES
CCC(C)(CO)Oc1ccc(Cc2ccc(Cl)cc2)cc1- InChIKey
BXBGQFBBRUPVQE-UHFFFAOYSA-N- Molecular formula
- C18H21ClO2
- Average molar mass
- 304.8 g/mol
- Monoisotopic mass
- 304.1230076
Names & identifiers
- Preferred name
- Butanol, 2-(4-(4-chlorobenzyl)phenoxy)-2-methyl-, (+-)-
- IUPAC
- 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylbutan-1-ol
Names & synonyms
Sgd 78-75BRN 29850832-(4-(4-Chlorobenzyl)phenoxy)-2-methylbutanol71548-83-9BUTANOL, 2-(4-(4-CHLOROBENZYL)PHENOXY)-2-METHYL-, (+-)-(+-)-2-(4-((4-Chlorphenyl)methyl)phenoxy)-2-methylbutanol [German](+-)-2-(4-((4-Chlorphenyl)methyl)phenoxy)-2-methylbutanolRefChem:330936SCHEMBL11336961DTXSID709920642-{4-[(4-Chlorophenyl)methyl]phenoxy}-2-methylbutan-1-ol
Database identifiers
- CAS
71548-83-9- PubChem CID
- 51340
- DTXSID
DTXSID70992064
Properties
Computed structural properties
- XLogP
- 4.9
- 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
- 294
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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