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Home Other Building Blocks 2,5-bis(propan-2-yl)phenol

2,5-bis(propan-2-yl)phenol

CAS No.:
35946-91-9
Catalog Number:
AG01B7BK
Molecular Formula:
C12H18O
Molecular Weight:
178.2707
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Product Description
Catalog Number:
AG01B7BK
Chemical Name:
2,5-bis(propan-2-yl)phenol
CAS Number:
35946-91-9
Molecular Formula:
C12H18O
Molecular Weight:
178.2707
MDL Number:
MFCD30345289
IUPAC Name:
2,5-di(propan-2-yl)phenol
InChI:
InChI=1S/C12H18O/c1-8(2)10-5-6-11(9(3)4)12(13)7-10/h5-9,13H,1-4H3
InChI Key:
VFNUNYPYULIJSN-UHFFFAOYSA-N
SMILES:
CC(c1ccc(c(c1)O)C(C)C)C
EC Number:
252-807-4
UNII:
H4WT3D9GR6
Properties
Complexity:
151  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.136g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
178.275g/mol
Monoisotopic Mass:
178.136g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  
Literature
Title Journal
Discovery of novel SERCA inhibitors by virtual screening of a large compound library. European journal of medicinal chemistry 20110501
Effects of propofol analogs on glucuronidation of propofol, an anesthetic drug, by human liver microsomes. Drug metabolism letters 20070101
Glucuronidation of propofol and its analogs by human and rat liver microsomes. Biological & pharmaceutical bulletin 20030201
Properties