Basic information
- CAS
3894-18-6- Standard SMILES
CC(CO)(CO)COc1ccc2ccccc2c1- InChIKey
NSBBGDHVTCXAQV-UHFFFAOYSA-N- Molecular formula
- C15H18O3
- Average molar mass
- 246.3 g/mol
- Monoisotopic mass
- 246.12559443
Names & identifiers
- Preferred name
- 1,3-Propanediol, 2-methyl-2-((2-naphthyloxy)methyl)-
- IUPAC
- 2-methyl-2-(naphthalen-2-yloxymethyl)propane-1,3-diol
- English name
- 2-Methyl-2-[(2-naphtyloxy)methyl]-1,3-propanediol
- Molecular formula
- C15H18O3
- Molecular weight
- 246.3
Names & synonyms
HC 16573894-18-61,3-Propanediol, 2-methyl-2-((2-naphthyloxy)methyl)-BRN 25589312-Methyl-2-((2-naphthyloxy)methyl)-1,3-propanediolDTXSID20192234RefChem:219677DTXCID30114725SCHEMBL285595252-Methyl-2-[(2-naphtyloxy)methyl]-1,3-propanediol2-Methyl-2-{[(naphthalen-2-yl)oxy]methyl}propane-1,3-diolHC-1657
Show more names
1,3-Propanediol, 2-methyl-2-[(2-naphthalenyloxy)methyl]-
Database identifiers
- CAS
3894-18-6- PubChem CID
- 199258
- DTXSID
DTXSID20192234- Nikkaji
- J64.312B
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 250
Physicochemical properties
- Melting point
- 103 · 103-104 °C
- Boiling point
- 451.6 · 451.6±25.0 °C(Predicted)
- Density
- 1.18 · 1.180±0.06 g/cm3(Predicted)
- pka
- 14.18 · 14.18±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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