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266338-16-3 | Phenol, 4-[4-(1,1-dimethylethyl)cyclohexyl]-
CAS No: 266338-16-3 Catalog No: AG002TW5 MDL No:
Product Description
Catalog Number:
AG002TW5
Chemical Name:
Phenol, 4-[4-(1,1-dimethylethyl)cyclohexyl]-
CAS Number:
266338-16-3
Molecular Formula:
C16H24O
Molecular Weight:
232.3612
IUPAC Name:
4-(4-tert-butylcyclohexyl)phenol
InChI:
InChI=1S/C16H24O/c1-16(2,3)14-8-4-12(5-9-14)13-6-10-15(17)11-7-13/h6-7,10-12,14,17H,4-5,8-9H2,1-3H3
InChI Key:
KPCLVSPXEUXINT-UHFFFAOYSA-N
SMILES:
CC(C1CCC(CC1)c1ccc(cc1)O)(C)C
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.183g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.367g/mol
Monoisotopic Mass:
232.183g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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