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2-Ethoxy-α-methyl-α-phenylbenzenemethanol

CAT: 0127-OR1100809-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1100809-01Size:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1282021-35-5
Purity
95%
Smiles
CCOc1ccccc1C (C) (O) c1ccccc1

Chemical Information

2-Ethoxy-alpha-methyl-alpha-phenylbenzenemethanol
CAS Number1282021-35-5
PubChem CID62800893
IUPAC Name1-(2-ethoxyphenyl)-1-phenylethanol
Molecular FormulaC16H18O2
Molecular Weight242.31
XLogP3.3
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count18
Formal Charge0
Complexity247
SMILES
CCOC1=CC=CC=C1C(C)(C2=CC=CC=C2)O
InChI
InChI=1S/C16H18O2/c1-3-18-15-12-8-7-11-14(15)16(2,17)13-9-5-4-6-10-13/h4-12,17H,3H2,1-2H3
InChIKey
HZWLYWPDRAOEQA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Ethoxy-alpha-methyl-alpha-phenylbenzenemethanol
CAS: 1282021-35-5
CID: 62800893
Formula: C16H18O2
MW: 242.31
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight242.31
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass242.130679813
Monoisotopic Mass242.130679813
Topological Polar Surface Area29.5 Ų
Heavy Atom Count18
Formal Charge0
Complexity247
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