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102612-16-8 | 4-Benzofuranol, 7-chloro-2-[(4-methoxyphenyl)methyl]-3-methyl-5-propyl-
CAS No: 102612-16-8 Catalog No: AG0007WC MDL No:
Product Description
Catalog Number:
AG0007WC
Chemical Name:
4-Benzofuranol, 7-chloro-2-[(4-methoxyphenyl)methyl]-3-methyl-5-propyl-
CAS Number:
102612-16-8
Molecular Formula:
C20H21ClO3
Molecular Weight:
344.8319
IUPAC Name:
7-chloro-2-[(4-methoxyphenyl)methyl]-3-methyl-5-propyl-1-benzofuran-4-ol
InChI:
InChI=1S/C20H21ClO3/c1-4-5-14-11-16(21)20-18(19(14)22)12(2)17(24-20)10-13-6-8-15(23-3)9-7-13/h6-9,11,22H,4-5,10H2,1-3H3
InChI Key:
PLRQEJPVGOQVSJ-UHFFFAOYSA-N
SMILES:
CCCc1cc(Cl)c2c(c1O)c(C)c(o2)Cc1ccc(cc1)OC
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.118g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
344.835g/mol
Monoisotopic Mass:
344.118g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
42.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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