Home Aldehydes Benzaldehyde, 4-methoxy-2-methyl-5-(phenylmethoxy)-

Benzaldehyde, 4-methoxy-2-methyl-5-(phenylmethoxy)-

CAS No.:
97400-62-9
Catalog Number:
AG00IJXR
Molecular Formula:
C16H16O3
Molecular Weight:
256.2964
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Product Description
Catalog Number:
AG00IJXR
Chemical Name:
Benzaldehyde, 4-methoxy-2-methyl-5-(phenylmethoxy)-
CAS Number:
97400-62-9
Molecular Formula:
C16H16O3
Molecular Weight:
256.2964
MDL Number:
MFCD28991970
IUPAC Name:
4-methoxy-2-methyl-5-phenylmethoxybenzaldehyde
InChI:
InChI=1S/C16H16O3/c1-12-8-15(18-2)16(9-14(12)10-17)19-11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3
InChI Key:
HWDHJGQKOFEBAB-UHFFFAOYSA-N
SMILES:
COc1cc(C)c(cc1OCc1ccccc1)C=O
Properties
Complexity:
273  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.11g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.301g/mol
Monoisotopic Mass:
256.11g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties