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2-Methoxy-α- (2-phenylethynyl) benzenemethanol

CAT: 0127-OR1092484-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1092484-01Size:250 mg
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CAS Number
479213-85-9
MDL Number
MFCD34875548
Purity
95%
Smiles
C (C#Cc1ccccc1) (O) c1c (OC) cccc1

Chemical Information

2-Methoxy-alpha-(2-phenylethynyl)benZenemethanol
CAS Number479213-85-9
PubChem CID11470441
IUPAC Name1-(2-methoxyphenyl)-3-phenylprop-2-yn-1-ol
Molecular FormulaC16H14O2
Molecular Weight238.28
XLogP3.1
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity306
SMILES
COC1=CC=CC=C1C(C#CC2=CC=CC=C2)O
InChI
InChI=1S/C16H14O2/c1-18-16-10-6-5-9-14(16)15(17)12-11-13-7-3-2-4-8-13/h2-10,15,17H,1H3
InChIKey
LYKBDLZKXKSURW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methoxy-alpha-(2-phenylethynyl)benZenemethanol
CAS: 479213-85-9
CID: 11470441
Formula: C16H14O2
MW: 238.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight238.28
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass238.099379685
Monoisotopic Mass238.099379685
Topological Polar Surface Area29.5 Ų
Heavy Atom Count18
Formal Charge0
Complexity306
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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