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114289-15-5 | Phenol, 3-(3-methylbutyl)-5-(2-methylpropyl)-
CAS No: 114289-15-5 Catalog No: AG000AZP MDL No:
Product Description
Catalog Number:
AG000AZP
Chemical Name:
Phenol, 3-(3-methylbutyl)-5-(2-methylpropyl)-
CAS Number:
114289-15-5
Molecular Formula:
C15H24O
Molecular Weight:
220.3505
IUPAC Name:
3-(3-methylbutyl)-5-(2-methylpropyl)phenol
InChI:
InChI=1S/C15H24O/c1-11(2)5-6-13-8-14(7-12(3)4)10-15(16)9-13/h8-12,16H,5-7H2,1-4H3
InChI Key:
QDNXOBZQZXTWDV-UHFFFAOYSA-N
SMILES:
CC(CCc1cc(CC(C)C)cc(c1)O)C
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.183g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.356g/mol
Monoisotopic Mass:
220.183g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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