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4-(Phenylmethoxy)-benzeneacetaldehyde

CAT: 0572-TRC-P335690-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P335690-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
40167-10-0
Synonyms
2-(4-Benzyloxyphenyl)acetaldehyde; 4-Benzyloxyphenylacetaldehyde; 4-Phenylmethoxyphenylacetaldehyde
Hazard Statement
No Data Available
Smiles
O=CCc1ccc(OCc2ccccc2)cc1
Molecular Formula
C15H14O2
Molecular Weight
226.27
Shipping Conditions
Room Temperature

Chemical Information

4-Benzyloxyphenylacetaldehyde
CAS Number40167-10-0
PubChem CID11413489
IUPAC Name2-(4-phenylmethoxyphenyl)acetaldehyde
Molecular FormulaC15H14O2
Molecular Weight226.27
XLogP2.7
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count17
Formal Charge0
Complexity213
SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)CC=O
InChI
InChI=1S/C15H14O2/c16-11-10-13-6-8-15(9-7-13)17-12-14-4-2-1-3-5-14/h1-9,11H,10,12H2
InChIKey
FVIRBJOGMPKDHO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Benzyloxyphenylacetaldehyde
CAS: 40167-10-0
CID: 11413489
Formula: C15H14O2
MW: 226.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight226.27
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass226.099379685
Monoisotopic Mass226.099379685
Topological Polar Surface Area26.3 Ų
Heavy Atom Count17
Formal Charge0
Complexity213
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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