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1- (3-ethylphenyl) cyclohexanol

CAT: 0127-OR1098433-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1098433-01Size:250 mg
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CAS Number
676133-28-1
MDL Number
MFCD24127189
Purity
95%
Smiles
OC1 (CCCCC1) c1cc (CC) ccc1

Chemical Information

1-(3-Ethylphenyl)cyclohexanol
CAS Number676133-28-1
PubChem CID21104523
IUPAC Name1-(3-ethylphenyl)cyclohexan-1-ol
Molecular FormulaC14H20O
Molecular Weight204.31
XLogP3.4
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity194
SMILES
CCC1=CC(=CC=C1)C2(CCCCC2)O
InChI
InChI=1S/C14H20O/c1-2-12-7-6-8-13(11-12)14(15)9-4-3-5-10-14/h6-8,11,15H,2-5,9-10H2,1H3
InChIKey
WTJADRFYAJDTCO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(3-Ethylphenyl)cyclohexanol
CAS: 676133-28-1
CID: 21104523
Formula: C14H20O
MW: 204.31
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight204.31
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass204.151415257
Monoisotopic Mass204.151415257
Topological Polar Surface Area20.2 Ų
Heavy Atom Count15
Formal Charge0
Complexity194
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes