2-Hydroxymethyl-4-3-Methoxypropoxy-3-Methylpyrid

Synopsis, Chemistry

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2-Hydroxymethyl-4-3-Methoxypropoxy-3-Methylpyrid

Also known as: 118175-10-3, (4-(3-methoxypropoxy)-3-methylpyridin-2-yl)methanol, 2-hydroxymethyl-3-methyl-4-(3-methoxypropanoxyl)pyridine, [4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methanol, 2-pyridinemethanol, 4-(3-methoxypropoxy)-3-methyl-, Bv1am69m15

Molecular Formula

C₁₁H₁₇NO₃

Molecular Weight

211.26 g/mol

InChI Key

OLBSXXZEMRBFIG-UHFFFAOYSA-N

FDA UNII

BV1AM69M15

1 2D Structure

2-Hydroxymethyl-4-3-Methoxypropoxy-3-Methylpyrid

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methanol

2.1.2 InChI

InChI=1S/C11H17NO3/c1-9-10(8-13)12-5-4-11(9)15-7-3-6-14-2/h4-5,13H,3,6-8H2,1-2H3

2.1.3 InChI Key

OLBSXXZEMRBFIG-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=C(C=CN=C1CO)OCCCOC

2.2 Other Identifiers

2.2.1 UNII

BV1AM69M15

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 118175-10-3

2. (4-(3-methoxypropoxy)-3-methylpyridin-2-yl)methanol

3. 2-hydroxymethyl-3-methyl-4-(3-methoxypropanoxyl)pyridine

4. [4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methanol

5. 2-pyridinemethanol, 4-(3-methoxypropoxy)-3-methyl-

6. Bv1am69m15

7. Mfcd08274729

8. 2-(hydroxymethyl)-4-(3-methoxypropoxy)-3-methylpyridine

9. 2-hydroxymethyl-3-methyl-4-(3-methoxy Propanoxyl)pyridine

10. Unii-bv1am69m15

11. Schembl1308045

12. Dtxsid00152033

13. Bcp14847

14. Zinc38917182

15. Akos015920045

16. Ds-13890

17. Sy021370

18. Cs-0153443

19. Ft-0688909

20. 4-(3-methoxypropoxy)-3-methyl-2-pyridylmethanol

21. A893201

22. J-501317

23. Q27274904

24. (4-(3-methoxy-propoxy)-3-methylpyridin-2-yl)methanol

2.4 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₇NO₃
Molecular Weight	211.26 g/mol
XLogP3	0.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	211.12084340 g/mol
Monoisotopic Mass	211.12084340 g/mol
Topological Polar Surface Area	51.6 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	166
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1