α-fenchol

α-fenchol
Compound Structure:
Synonyms: alpha-Fenchol 512-13-0; (-)-endo-Fenchol; (1S,2S,4R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol; alpha-Fenchyl alcohol
Compound ID: NMPC-1627
PubChem ID:

439711
Molecular Formula: C10H18O
Canonical SMILES: CC1(C2CCC(C2)(C1O)C)C
InChIKey: IAIHUHQCLTYTSF-MRTMQBJTSA-N
About the compound:

(-)-endo-fenchol is a fenchanemonoterpenoid that is bicyclo[2.2.1]heptane substituted by methyl groups at positions 1, 3 and 3 and a hydroxy group at position 2 (the 1S,2S,4R stereoisomer). It has a role as a plant metabolite and a volatile oil component. It is a fenchanemonoterpenoid and a carbobicyclic compound.

GHS Hazard Statements

• H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]

• H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

154.25 g/mol

XLogP3-AA

2.5

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

0

Exact Mass

154.135765193 g/mol

Monoisotopic Mass

154.135765193 g/mol

Topological Polar Surface Area

20.2Ų

Heavy Atom Count

11

Formal Charge

0

Complexity

185

Isotope Atom Count

0

Defined Atom Stereocenter Count

3

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source:PubChem
Source Species: Eucalyptus cloeziana
Eucalyptus tereticornis
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