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(2-Ethoxy-5-ethylphenyl) methanol

CAT: 0127-OR1084377-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1084377-01Size:250 mg
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CAS Number
1528483-54-6
MDL Number
MFCD34535611
Purity
97%
Smiles
C1c (ccc (c1CO) OCC) CC

Chemical Information

(2-Ethoxy-5-ethylphenyl)methanol
CAS Number1528483-54-6
PubChem CID82644874
IUPAC Name(2-ethoxy-5-ethylphenyl)methanol
Molecular FormulaC11H16O2
Molecular Weight180.24
XLogP2.2
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count13
Formal Charge0
Complexity136
SMILES
CCC1=CC(=C(C=C1)OCC)CO
InChI
InChI=1S/C11H16O2/c1-3-9-5-6-11(13-4-2)10(7-9)8-12/h5-7,12H,3-4,8H2,1-2H3
InChIKey
RLFNIJHWZFIBPQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (2-Ethoxy-5-ethylphenyl)methanol
CAS: 1528483-54-6
CID: 82644874
Formula: C11H16O2
MW: 180.24
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight180.24
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass180.115029749
Monoisotopic Mass180.115029749
Topological Polar Surface Area29.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity136
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