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2081-32-5 | Phenol, 4,4'-(3-methylbutylidene)bis-
CAS No: 2081-32-5 Catalog No: AG002JHV MDL No:
Product Description
Catalog Number:
AG002JHV
Chemical Name:
Phenol, 4,4'-(3-methylbutylidene)bis-
CAS Number:
2081-32-5
Molecular Formula:
C17H20O2
Molecular Weight:
256.3395
IUPAC Name:
4-[1-(4-hydroxyphenyl)-3-methylbutyl]phenol
InChI:
InChI=1S/C17H20O2/c1-12(2)11-17(13-3-7-15(18)8-4-13)14-5-9-16(19)10-6-14/h3-10,12,17-19H,11H2,1-2H3
InChI Key:
SRFHDEQOIMRMHH-UHFFFAOYSA-N
SMILES:
CC(CC(c1ccc(cc1)O)c1ccc(cc1)O)C
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.146g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
256.345g/mol
Monoisotopic Mass:
256.146g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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