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1-(3-Ethyl-4-(hydroxymethyl)phenyl)ethanone
PharmaCompass
1-(3-Ethyl-4-(hydroxymethyl)phenyl)ethanone
Also known as: 1378888-43-7, 1-[3-ethyl-4-(hydroxymethyl)phenyl]ethan-1-one, Ethanone, 1-[3-ethyl-4-(hydroxymethyl)phenyl]-, 1-(3-ethyl-4-(hydroxymethyl)phenyl)ethan-1-one, Schembl1859697, Uaosvsmwaufymm-uhfffaoysa-n
Molecular Formula
C11H14O2
Molecular Weight
178.23  g/mol
InChI Key
UAOSVSMWAUFYMM-UHFFFAOYSA-N

1 2D Structure

1-(3-Ethyl-4-(hydroxymethyl)phenyl)ethanone

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-[3-ethyl-4-(hydroxymethyl)phenyl]ethanone
2.1.2 InChI
InChI=1S/C11H14O2/c1-3-9-6-10(8(2)13)4-5-11(9)7-12/h4-6,12H,3,7H2,1-2H3
2.1.3 InChI Key
UAOSVSMWAUFYMM-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCC1=C(C=CC(=C1)C(=O)C)CO
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1378888-43-7

2. 1-[3-ethyl-4-(hydroxymethyl)phenyl]ethan-1-one

3. Ethanone, 1-[3-ethyl-4-(hydroxymethyl)phenyl]-

4. 1-(3-ethyl-4-(hydroxymethyl)phenyl)ethan-1-one

5. Schembl1859697

6. Uaosvsmwaufymm-uhfffaoysa-n

7. Mfcd18910891

8. Zinc66325910

9. Akos015891172

10. Acn-049041

11. Fch1012168

12. Sb18110

13. Ak200058

14. As-33345

15. Sc-89374

16. Ax8329269

17. Cs-0064885

18. 1-(3-ethyl-4-hydroxymethyl-phenyl)-ethanone

19. I01-9058

2.3 Create Date
2011-05-17
3 Chemical and Physical Properties
Molecular Weight 178.23 g/mol
Molecular Formula C11H14O2
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass178.09938 g/mol
Monoisotopic Mass178.09938 g/mol
Topological Polar Surface Area37.3 A^2
Heavy Atom Count13
Formal Charge0
Complexity177
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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