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30280-78-5 | Phenol, 4-methyl(1-phenylethyl)- (9CI)
CAS No: 30280-78-5 Catalog No: AG002ZG7 MDL No:
Product Description
Catalog Number:
AG002ZG7
Chemical Name:
Phenol, 4-methyl(1-phenylethyl)- (9CI)
CAS Number:
30280-78-5
Molecular Formula:
C15H16O
Molecular Weight:
212.2869
IUPAC Name:
4-methyl-2-(1-phenylethyl)phenol
InChI:
InChI=1S/C15H16O/c1-11-8-9-15(16)14(10-11)12(2)13-6-4-3-5-7-13/h3-10,12,16H,1-2H3
InChI Key:
DJRYJQNZAYJVGF-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)C(c1ccccc1)C)O
NSC Number:
1770
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.12g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.292g/mol
Monoisotopic Mass:
212.12g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
Literature
| Title | Journal |
|---|---|
| Discovery of novel SERCA inhibitors by virtual screening of a large compound library. | European journal of medicinal chemistry 20110501 |
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