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20576-52-7 | Phenol, 4,4'-(1-ethyl-2-methyl-1,2-ethanediyl)bis-, (R*,S*)- (9CI)
CAS No: 20576-52-7 Catalog No: AG002AD1 MDL No:
Product Description
Catalog Number:
AG002AD1
Chemical Name:
Phenol, 4,4'-(1-ethyl-2-methyl-1,2-ethanediyl)bis-, (R*,S*)- (9CI)
CAS Number:
20576-52-7
Molecular Formula:
C17H20O2
Molecular Weight:
256.3395
IUPAC Name:
4-[(2S,3R)-3-(4-hydroxyphenyl)pentan-2-yl]phenol
InChI:
InChI=1S/C17H20O2/c1-3-17(14-6-10-16(19)11-7-14)12(2)13-4-8-15(18)9-5-13/h4-12,17-19H,3H2,1-2H3/t12-,17-/m1/s1
InChI Key:
PYYFTORPKDTZJF-SJKOYZFVSA-N
SMILES:
CC[C@H]([C@@H](c1ccc(cc1)O)C)c1ccc(cc1)O
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
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:
4.6
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