Basic information
- CAS
53847-40-8- Standard SMILES
CCC(O)(CC)c1ccccc1OC- InChIKey
NWOYPGORKVCGPR-UHFFFAOYSA-N- Molecular formula
- C12H18O2
- Average molar mass
- 194.27 g/mol
- Monoisotopic mass
- 194.13067981
Names & identifiers
- Preferred name
- 3-(2-Methoxyphenyl)-3-pentanol
- IUPAC
- 3-(2-methoxyphenyl)pentan-3-ol
- English name
- 3-(2-Methoxyphenyl)pentan-3-ol
- Molecular formula
- C12H18O2
- Molecular weight
- 194.27
Names & synonyms
3-(2-methoxyphenyl)pentan-3-ol3-(2-Methoxyphenyl)-3-pentanol53847-40-8MFCD12152945NWOYPGORKVCGPR-UHFFFAOYSA-NDTXSID8010163793-(2-Methoxyphenyl)-3-pentanol #SB84698.alpha.,.alpha.-Diethyl-o-methoxybenzyl alcoholF400349α,α-Diethyl-2-methoxybenzenemethanolBenzenemethanol, α,α-diethyl-2-methoxy-
Database identifiers
- CAS
53847-40-8- PubChem CID
- 596757
- DTXSID
DTXSID801016379- Nikkaji
- J542.880G
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 164
Physicochemical properties
- Boiling point
- 304.6 · 304.6±25.0 °C(Predicted)
- Density
- 1 · 1.000±0.06 g/cm3(Predicted)
- pka
- 14.56 · 14.56±0.29(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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