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202928-51-6 | Phenol, [1-methyl-4-(1-methylethyl)-1,3-cyclohexanediyl]bis- (9CI)
CAS No: 202928-51-6 Catalog No: AG0028KG MDL No:
Product Description
Catalog Number:
AG0028KG
Chemical Name:
Phenol, [1-methyl-4-(1-methylethyl)-1,3-cyclohexanediyl]bis- (9CI)
CAS Number:
202928-51-6
Molecular Formula:
C22H28O2
Molecular Weight:
324.4565
IUPAC Name:
2-[5-(2-hydroxyphenyl)-5-methyl-2-propan-2-ylcyclohexyl]phenol
InChI:
InChI=1S/C22H28O2/c1-15(2)16-12-13-22(3,19-9-5-7-11-21(19)24)14-18(16)17-8-4-6-10-20(17)23/h4-11,15-16,18,23-24H,12-14H2,1-3H3
InChI Key:
NEBAJFYMQLHMJX-UHFFFAOYSA-N
SMILES:
CC(C1CCC(CC1c1ccccc1O)(C)c1ccccc1O)C
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.209g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
324.464g/mol
Monoisotopic Mass:
324.209g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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