3-Methyl-6-propylphenol
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Basic information
- CAS
31143-55-2- Standard SMILES
CCCc1ccc(C)cc1O- InChIKey
NGSJNQJPYFYNJV-UHFFFAOYSA-N- Molecular formula
- C10H14O
- Average molar mass
- 150.22 g/mol
- Monoisotopic mass
- 150.10446507
Overview
m-Cresol, 6-propyl- has been reported in Glycyrrhiza glabra with data available.
Names & identifiers
- Preferred name
- 3-Methyl-6-propylphenol
- IUPAC
- 5-methyl-2-propylphenol
- English name
- 5-methyl-2-propyl-phenol
- Molecular formula
- C10H14O
- Molecular weight
- 150.22
Names & synonyms
5-Methyl-2-propylphenol31143-55-2m-Cresol, 6-propyl-DTXSID701850753-Methyl-6-propylphenolRefChem:1068269DTXCID801075666-Propyl-m-cresol5-METHYL-2-PROPYL-PHENOL6-n-Propyl-m-cresolPhenol, 5-methyl-2-propyl-BRN 2082497
Show more names
2-propyl-5-methylphenol5-Methyl-2-propylphenol #4-06-00-03323 (Beilstein Handbook Reference)Phenol, 3-methyl-6-propyl-SCHEMBL453518m-CRESOL, 6-n-PROPYL-orb1985670SCHEMBL5565377
Database identifiers
- CAS
31143-55-2- PubChem CID
- 35743
- DTXSID
DTXSID70185075- Nikkaji
- J48.514D
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 111
Physicochemical properties
- Boiling point
- 129 °C · 129 °C(Press: 16 Torr)
- Density
- 0.978 · 0.978±0.06 g/cm3(Predicted)
- pka
- 10.59 · 10.59±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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