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Home > Other Heterocycles > 13746-58-2
13746-58-2 | Phenol, 2-methoxy-5-[(1R,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl]-, rel-
CAS No: 13746-58-2 Catalog No: AG0013B0 MDL No:
Product Description
Catalog Number:
AG0013B0
Chemical Name:
Phenol, 2-methoxy-5-[(1R,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl]-, rel-
CAS Number:
13746-58-2
Molecular Formula:
C17H24O2
Molecular Weight:
260.3713
IUPAC Name:
2-methoxy-5-[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenol
InChI:
InChI=1S/C17H24O2/c1-16(2)12-7-8-17(16,3)13(10-12)11-5-6-15(19-4)14(18)9-11/h5-6,9,12-13,18H,7-8,10H2,1-4H3/t12-,13?,17+/m1/s1
InChI Key:
GCUHVRDKQDPZGZ-KOHRXURCSA-N
SMILES:
COc1ccc(cc1O)[C@H]1C[C@H]2C([C@]1(C)CC2)(C)C
EC Number:
237-320-7
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
260.178g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.377g/mol
Monoisotopic Mass:
260.178g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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