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3-(1-Hydroxyethyl)benzophenone

CAT: 0572-TRC-H941995-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H941995-10MGSize:10 mg
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CAS Number
67173-18-6
Synonyms
3-(1-Hydroxyethyl)benzophenone
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
CC(O)c1cccc(c1)C(=O)c2ccccc2
Molecular Formula
C15 H14 O2
Molecular Weight
226.27
InChI
InChI=1S/C15H14O2/c1-11(16)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11,16H,1H3
Additionnal Information
IUPAC name: [3-(1-hydroxyethyl)phenyl]-phenylmethanone
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

3-(1-Hydroxyethyl)benzophenone
CAS Number67173-18-6
PubChem CID13102751
IUPAC Name[3-(1-hydroxyethyl)phenyl]-phenylmethanone
Molecular FormulaC15H14O2
Molecular Weight226.27
XLogP2.6
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count17
Formal Charge0
Complexity256
SMILES
CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)O
InChI
InChI=1S/C15H14O2/c1-11(16)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11,16H,1H3
InChIKey
VIGLCJZNAGRKFZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(1-Hydroxyethyl)benzophenone
CAS: 67173-18-6
CID: 13102751
Formula: C15H14O2
MW: 226.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight226.27
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass226.099379685
Monoisotopic Mass226.099379685
Topological Polar Surface Area37.3 Ų
Heavy Atom Count17
Formal Charge0
Complexity256
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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