Home Other Building Blocks (1S)-1-[3-(propan-2-yloxy)phenyl]ethan-1-ol

(1S)-1-[3-(propan-2-yloxy)phenyl]ethan-1-ol

CAS No.:
1344939-96-3
Catalog Number:
AG01AG3D
Molecular Formula:
C11H16O2
Molecular Weight:
180.2435
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Product Description
Catalog Number:
AG01AG3D
Chemical Name:
(1S)-1-[3-(propan-2-yloxy)phenyl]ethan-1-ol
CAS Number:
1344939-96-3
Molecular Formula:
C11H16O2
Molecular Weight:
180.2435
MDL Number:
MFCD18340289
IUPAC Name:
1-(3-propan-2-yloxyphenyl)ethanol
InChI:
InChI=1S/C11H16O2/c1-8(2)13-11-6-4-5-10(7-11)9(3)12/h4-9,12H,1-3H3
InChI Key:
LBNKLYCKUMWXNX-UHFFFAOYSA-N
SMILES:
CC(Oc1cccc(c1)[C@@H](O)C)C
Properties
Complexity:
145  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.115g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
180.247g/mol
Monoisotopic Mass:
180.115g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties