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Home Other Building Blocks 2-(Adamantan-1-yl)-4-methylphenol

2-(Adamantan-1-yl)-4-methylphenol

CAS No.:
41031-50-9
Catalog Number:
AG003EP3
Molecular Formula:
C17H22O
Molecular Weight:
242.3560
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Product Description
Catalog Number:
AG003EP3
Chemical Name:
2-(Adamantan-1-yl)-4-methylphenol
CAS Number:
41031-50-9
Molecular Formula:
C17H22O
Molecular Weight:
242.3560
MDL Number:
MFCD00168147
IUPAC Name:
2-(1-adamantyl)-4-methylphenol
InChI:
InChI=1S/C17H22O/c1-11-2-3-16(18)15(4-11)17-8-12-5-13(9-17)7-14(6-12)10-17/h2-4,12-14,18H,5-10H2,1H3
InChI Key:
XHLJIHBDAJFXBE-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1C12CC3CC(C2)CC(C1)C3)C
Properties
Complexity:
293  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.167g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
242.362g/mol
Monoisotopic Mass:
242.167g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3  
Literature
Title Journal
Agonistic effects of diverse xenobiotics on the constitutive androstane receptor as detected in a recombinant yeast-cell assay. Toxicology in vitro : an international journal published in association with BIBRA 20180201
Interactions of synthetic estrogens with human estrogen receptors. The Journal of endocrinology 20010701
Properties