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α-Cyclohexyl-3-methoxybenzenemethanol

CAT: 0127-OR1081045-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1081045-01Size:250 mg
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CAS Number
1207204-45-2
MDL Number
MFCD12153458
Purity
95%
Smiles
C (O) (c1cc (OC) ccc1) C1CCCCC1

Chemical Information

alpha-Cyclohexyl-3-methoxybenZenemethanol
CAS Number1207204-45-2
PubChem CID60797330
IUPAC Namecyclohexyl-(3-methoxyphenyl)methanol
Molecular FormulaC14H20O2
Molecular Weight220.31
XLogP3.4
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity199
SMILES
COC1=CC=CC(=C1)C(C2CCCCC2)O
InChI
InChI=1S/C14H20O2/c1-16-13-9-5-8-12(10-13)14(15)11-6-3-2-4-7-11/h5,8-11,14-15H,2-4,6-7H2,1H3
InChIKey
XGYYVZNWNVDZPC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of alpha-Cyclohexyl-3-methoxybenZenemethanol
CAS: 1207204-45-2
CID: 60797330
Formula: C14H20O2
MW: 220.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight220.31
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass220.146329876
Monoisotopic Mass220.146329876
Topological Polar Surface Area29.5 Ų
Heavy Atom Count16
Formal Charge0
Complexity199
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

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