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17959-02-3 | Phenol, 2-(1,1-dimethylethyl)-6-(1-phenylethyl)-
CAS No: 17959-02-3 Catalog No: AG00274E MDL No:
Product Description
Catalog Number:
AG00274E
Chemical Name:
Phenol, 2-(1,1-dimethylethyl)-6-(1-phenylethyl)-
CAS Number:
17959-02-3
Molecular Formula:
C18H22O
Molecular Weight:
254.3667
IUPAC Name:
2-tert-butyl-6-(1-phenylethyl)phenol
InChI:
InChI=1S/C18H22O/c1-13(14-9-6-5-7-10-14)15-11-8-12-16(17(15)19)18(2,3)4/h5-13,19H,1-4H3
InChI Key:
XHDJMELISRBCDV-UHFFFAOYSA-N
SMILES:
CC(c1cccc(c1O)C(C)(C)C)c1ccccc1
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.167g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.373g/mol
Monoisotopic Mass:
254.167g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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