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4-Cyclohexyl-α-methylbenzeneethanol

CAT: 0127-OR1086511-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1086511-01Size:250 mg
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CAS Number
1895489-42-5
Purity
95%
Smiles
C (C (C) O) c1ccc (cc1) C1CCCCC1

Chemical Information

4-Cyclohexyl-alpha-methylbenZeneethanol
CAS Number1895489-42-5
PubChem CID117311418
IUPAC Name1-(4-cyclohexylphenyl)propan-2-ol
Molecular FormulaC15H22O
Molecular Weight218.33
XLogP4.5
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity188
SMILES
CC(CC1=CC=C(C=C1)C2CCCCC2)O
InChI
InChI=1S/C15H22O/c1-12(16)11-13-7-9-15(10-8-13)14-5-3-2-4-6-14/h7-10,12,14,16H,2-6,11H2,1H3
InChIKey
GERMHDUKNAZVQI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Cyclohexyl-alpha-methylbenZeneethanol
CAS: 1895489-42-5
CID: 117311418
Formula: C15H22O
MW: 218.33
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight218.33
XLogP34.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass218.167065321
Monoisotopic Mass218.167065321
Topological Polar Surface Area20.2 Ų
Heavy Atom Count16
Formal Charge0
Complexity188
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes