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16644-12-5 | Benzeneethanol, 4-methoxy-β-methyl-α-phenyl-, (R*,R*)- (9CI)
CAS No: 16644-12-5 Catalog No: AG001WQA MDL No:
Product Description
Catalog Number:
AG001WQA
Chemical Name:
Benzeneethanol, 4-methoxy-β-methyl-α-phenyl-, (R*,R*)- (9CI)
CAS Number:
16644-12-5
Molecular Formula:
C16H18O2
Molecular Weight:
242.3129
IUPAC Name:
2-(4-methoxyphenyl)-1-phenylpropan-1-ol
InChI:
InChI=1S/C16H18O2/c1-12(13-8-10-15(18-2)11-9-13)16(17)14-6-4-3-5-7-14/h3-12,16-17H,1-2H3
InChI Key:
MOZNZMIVDBHRRT-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)[C@H]([C@H](c1ccccc1)O)C
NSC Number:
149642
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.131g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.318g/mol
Monoisotopic Mass:
242.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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