CID 39242083
PubChem CID
39242083
Structure
Molecular Formula
Status
Non-live
Molecular Weight
208.27 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
(R)-cyclopentyl-(4-fluoro-3-methylphenyl)methanol
InChI=1S/C13H17FO/c1-9-8-11(6-7-12(9)14)13(15)10-4-2-3-5-10/h6-8,10,13,15H,2-5H2,1H3/t13-/m1/s1
PTYDSDDPLNLOJF-CYBMUJFWSA-N
CC1=C(C=CC(=C1)[C@@H](C2CCCC2)O)F
C13H17FO
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
208.27 g/mol
Property Name
XLogP3-AA
Property Value
3.4
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
2
Property Name
Exact Mass
Property Value
208.126343324 g/mol
Property Name
Monoisotopic Mass
Property Value
208.126343324 g/mol
Property Name
Topological Polar Surface Area
Property Value
20.2 A^2
Property Name
Heavy Atom Count
Property Value
15
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
201
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
1
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
Old substance
CONTENTS