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1021126-94-2 | Benzenemethanol, 4-methoxy-3-(2-phenylethoxy)-
CAS No: 1021126-94-2 Catalog No: AG0006NK MDL No:MFCD12448630
Product Description
Catalog Number:
AG0006NK
Chemical Name:
Benzenemethanol, 4-methoxy-3-(2-phenylethoxy)-
CAS Number:
1021126-94-2
Molecular Formula:
C16H18O3
Molecular Weight:
258.3123
MDL Number:
MFCD12448630
IUPAC Name:
[4-methoxy-3-(2-phenylethoxy)phenyl]methanol
InChI:
InChI=1S/C16H18O3/c1-18-15-8-7-14(12-17)11-16(15)19-10-9-13-5-3-2-4-6-13/h2-8,11,17H,9-10,12H2,1H3
InChI Key:
HJIKURDTTCYRSU-UHFFFAOYSA-N
SMILES:
OCc1ccc(c(c1)OCCc1ccccc1)OC
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.126g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.317g/mol
Monoisotopic Mass:
258.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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