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119189-41-2 | Phenol, 4,4'-(1,4-butanediyl)bis[2-methoxy-
CAS No: 119189-41-2 Catalog No: AG000IBD MDL No:
Product Description
Catalog Number:
AG000IBD
Chemical Name:
Phenol, 4,4'-(1,4-butanediyl)bis[2-methoxy-
CAS Number:
119189-41-2
Molecular Formula:
C18H22O4
Molecular Weight:
302.3649
IUPAC Name:
4-[4-(4-hydroxy-3-methoxyphenyl)butyl]-2-methoxyphenol
InChI:
InChI=1S/C18H22O4/c1-21-17-11-13(7-9-15(17)19)5-3-4-6-14-8-10-16(20)18(12-14)22-2/h7-12,19-20H,3-6H2,1-2H3
InChI Key:
FHOVECKMADUXEW-UHFFFAOYSA-N
SMILES:
COc1cc(CCCCc2ccc(c(c2)OC)O)ccc1O
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.152g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
302.37g/mol
Monoisotopic Mass:
302.152g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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