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101330-69-2 | Phenol, 3-methoxy-5-[2-(3-methoxyphenyl)ethyl]-
CAS No: 101330-69-2 Catalog No: AG00049H MDL No:
Product Description
Catalog Number:
AG00049H
Chemical Name:
Phenol, 3-methoxy-5-[2-(3-methoxyphenyl)ethyl]-
CAS Number:
101330-69-2
Molecular Formula:
C16H18O3
Molecular Weight:
258.3123
IUPAC Name:
3-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenol
InChI:
InChI=1S/C16H18O3/c1-18-15-5-3-4-12(9-15)6-7-13-8-14(17)11-16(10-13)19-2/h3-5,8-11,17H,6-7H2,1-2H3
InChI Key:
FDJURJXPMJANDW-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)CCc1cc(O)cc(c1)OC
Properties
Complexity:
256
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:
5
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| Spasmolytic effects, mode of action, and structure-activity relationships of stilbenoids from Nidema boothii. | Journal of natural products 20040201 |
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