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beta-[(Phenylmethoxy)methyl]benzeneethanol

CAT: 0572-TRC-P318650-10GSize: 10 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-P318650-10GSize:10 g
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CAS Number
189886-53-1
Synonyms
β-[(phenylmethoxy)methyl]benzeneethanol; 2-Phenyl-3-(benzyloxy)propan-1-ol; 3-Benzyloxy-2-phenyl-1-propanol
Hazard Statement
No Data Available
Smiles
OCC(C=1C=CC=CC1)COCC=2C=CC=CC2
Molecular Formula
C16H18O2
Molecular Weight
242.31
InChI
InChI=1S/C16H18O2/c17-11-16(15-9-5-2-6-10-15)13-18-12-14-7-3-1-4-8-14/h1-10,16-17H,11-13H2
Additionnal Information
IUPAC name: 3-(benzyloxy)-2-phenylpropan-1-ol

Chemical Information

beta-[(Phenylmethoxy)methyl]benzeneethanol
CAS Number189886-53-1
PubChem CID10538120
IUPAC Name2-phenyl-3-phenylmethoxypropan-1-ol
Molecular FormulaC16H18O2
Molecular Weight242.31
XLogP2.6
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count18
Formal Charge0
Complexity205
SMILES
C1=CC=C(C=C1)COCC(CO)C2=CC=CC=C2
InChI
InChI=1S/C16H18O2/c17-11-16(15-9-5-2-6-10-15)13-18-12-14-7-3-1-4-8-14/h1-10,16-17H,11-13H2
InChIKey
RFINKEISFSQKDG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of beta-[(Phenylmethoxy)methyl]benzeneethanol
CAS: 189886-53-1
CID: 10538120
Formula: C16H18O2
MW: 242.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight242.31
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass242.130679813
Monoisotopic Mass242.130679813
Topological Polar Surface Area29.5 Ų
Heavy Atom Count18
Formal Charge0
Complexity205
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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