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(3-ethoxy-2-fluorophenyl) (phenyl) methanol

CAT: 0127-PC1019377-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-PC1019377-01Size:250 mg
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CAS Number
2918913-84-3
MDL Number
MFCD34783974
Purity
95%
Smiles
C1cc (c (c (c1) C (O) c1ccccc1) F) OCC

Chemical Information

(3-Ethoxy-2-fluorophenyl)(phenyl)methanol
CAS Number2918913-84-3
PubChem CID177683331
IUPAC Name(3-ethoxy-2-fluorophenyl)-phenylmethanol
Molecular FormulaC15H15FO2
Molecular Weight246.28
XLogP3.2
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count18
Formal Charge0
Complexity241
SMILES
CCOC1=CC=CC(=C1F)C(C2=CC=CC=C2)O
InChI
InChI=1S/C15H15FO2/c1-2-18-13-10-6-9-12(14(13)16)15(17)11-7-4-3-5-8-11/h3-10,15,17H,2H2,1H3
InChIKey
VSPHWRSAFZIHED-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (3-Ethoxy-2-fluorophenyl)(phenyl)methanol
CAS: 2918913-84-3
CID: 177683331
Formula: C15H15FO2
MW: 246.28
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight246.28
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass246.10560788
Monoisotopic Mass246.10560788
Topological Polar Surface Area29.5 Ų
Heavy Atom Count18
Formal Charge0
Complexity241
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