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72968-53-7 | 2,4-dimethyl-6-[(1R,2S,4S)-4,7,7-trimethylnorbornan-2-yl]phenol
CAS No: 72968-53-7 Catalog No: AG005D11 MDL No:
Product Description
Catalog Number:
AG005D11
Chemical Name:
2,4-dimethyl-6-[(1R,2S,4S)-4,7,7-trimethylnorbornan-2-yl]phenol
CAS Number:
72968-53-7
Molecular Formula:
C18H26O
Molecular Weight:
258.3984
IUPAC Name:
2,4-dimethyl-6-[(1R,2S,4S)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenol
InChI:
InChI=1S/C18H26O/c1-11-8-12(2)16(19)13(9-11)14-10-18(5)7-6-15(14)17(18,3)4/h8-9,14-15,19H,6-7,10H2,1-5H3/t14-,15-,18+/m1/s1
InChI Key:
PFQAEXWCTNWZTN-RKVPGOIHSA-N
SMILES:
Cc1cc(C)c(c(c1)[C@H]1C[C@]2(C([C@@H]1CC2)(C)C)C)O
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
258.198g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.405g/mol
Monoisotopic Mass:
258.198g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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