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α-Cyclohexyl-4-propoxybenzenemethanol

CAT: 0127-OR1083820-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1083820-01Size:250 mg
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CAS Number
1466307-80-1
MDL Number
MFCD17126806
Purity
97%
Smiles
C (O) (c1ccc (OCCC) cc1) C1CCCCC1

Chemical Information

alpha-Cyclohexyl-4-propoxybenZenemethanol
CAS Number1466307-80-1
PubChem CID62797144
IUPAC Namecyclohexyl-(4-propoxyphenyl)methanol
Molecular FormulaC16H24O2
Molecular Weight248.36
XLogP4.3
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count18
Formal Charge0
Complexity215
SMILES
CCCOC1=CC=C(C=C1)C(C2CCCCC2)O
InChI
InChI=1S/C16H24O2/c1-2-12-18-15-10-8-14(9-11-15)16(17)13-6-4-3-5-7-13/h8-11,13,16-17H,2-7,12H2,1H3
InChIKey
AGVMWAKDTRPHFQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of alpha-Cyclohexyl-4-propoxybenZenemethanol
CAS: 1466307-80-1
CID: 62797144
Formula: C16H24O2
MW: 248.36
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight248.36
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass248.177630004
Monoisotopic Mass248.177630004
Topological Polar Surface Area29.5 Ų
Heavy Atom Count18
Formal Charge0
Complexity215
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