2-Butanol, 4-(3-methylphenoxy)-
Basic information
- CAS
61904-03-8- Standard SMILES
Cc1cccc(OCCC(C)O)c1- InChIKey
PVOJSSGMNIKGSW-UHFFFAOYSA-N- Molecular formula
- C11H16O2
- Average molar mass
- 180.24 g/mol
- Monoisotopic mass
- 180.11502975
Names & identifiers
- Preferred name
- 2-Butanol, 4-(3-methylphenoxy)-
- IUPAC
- 4-(3-methylphenoxy)butan-2-ol
Names & synonyms
61904-03-84-(m-tolyloxy)butan-2-ol2-Butanol, 4-(3-methylphenoxy)-4-(3-METHYLPHENOXY)BUTAN-2-OLSCHEMBL9935473DTXSID10485541AKOS011042621
Database identifiers
- CAS
61904-03-8- PubChem CID
- 12296017
- DTXSID
DTXSID10485541
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 136
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…