6-[[3,4-bis(ethenyl)phenoxy]methyl]-4-methylpyridine-2-carboxylic acid

C18H17NO3 — CID 155701669

IUPAC6-[[3,4-bis(ethenyl)phenoxy]methyl]-4-methylpyridine-2-carboxylic acid
SMILESC=Cc1ccc(OCc2cc(C)cc(C(=O)O)n2)cc1C=C
InChIInChI=1S/C18H17NO3/c1-4-13-6-7-16(10-14(13)5-2)22-11-15-8-12(3)9-17(19-15)18(20)21/h4-10H,1-2,11H2,3H3,(H,20,21)
InChIKeyFXUPNRLYSIKNGJ-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.95
Rot. Bonds6

About 6-[[3,4-bis(ethenyl)phenoxy]methyl]-4-methylpyridine-2-carboxylic acid

6-[[3,4-bis(ethenyl)phenoxy]methyl]-4-methylpyridine-2-carboxylic acid (PubChem CID 155701669) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 6-[[3,4-bis(ethenyl)phenoxy]methyl]-4-methylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[3,4-bis(ethenyl)phenoxy]methyl]-4-methylpyridine-2-carboxylic acid
PubChem CID155701669
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name6-[[3,4-bis(ethenyl)phenoxy]methyl]-4-methylpyridine-2-carboxylic acid
SMILESC=Cc1ccc(OCc2cc(C)cc(C(=O)O)n2)cc1C=C
InChIInChI=1S/C18H17NO3/c1-4-13-6-7-16(10-14(13)5-2)22-11-15-8-12(3)9-17(19-15)18(20)21/h4-10H,1-2,11H2,3H3,(H,20,21)
InChIKeyFXUPNRLYSIKNGJ-UHFFFAOYSA-N
XLogP3.95
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-ethoxy-4-methylquinoline-2-carboxylic acid
CID 82574771
1,2-bis(ethenyl)-4-ethoxybenzene
CID 142802318
2-[(4-methylphenoxy)methyl]-3H-benzimidazole-5-carboxylic acid
CID 84756425
1,2-bis(ethenyl)-4-methylbenzene;methoxymethane
CID 142804443
6-(phenoxymethyl)pyridine-2-carboxylic acid
CID 54566453
2-ethyl-5-(pyridin-2-ylmethoxy)indazole-3-carboxylic acid
CID 170357752
4-[3,4-bis(ethenyl)phenoxy]-1,2-bis(ethenyl)benzene
CID 171717400
6-chloro-2-[(3-methylphenoxy)methyl]pyrimidine-4-carboxylic acid
CID 82168817
6-[[3-(hydroxymethyl)phenoxy]methyl]pyridine-2-carboxylic acid
CID 106903344
6-[(4-chlorophenoxy)methyl]pyridine-2-carboxylic acid
CID 106903207
2-methyl-4-(quinolin-2-ylmethoxy)benzoic acid
CID 67896812
2-amino-5-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]benzoic acid
CID 107076898

Frequently Asked Questions

What is the IUPAC name of 6-[[3,4-bis(ethenyl)phenoxy]methyl]-4-methylpyridine-2-carboxylic acid?
The IUPAC name of 6-[[3,4-bis(ethenyl)phenoxy]methyl]-4-methylpyridine-2-carboxylic acid (CID 155701669) is 6-[[3,4-bis(ethenyl)phenoxy]methyl]-4-methylpyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[3,4-bis(ethenyl)phenoxy]methyl]-4-methylpyridine-2-carboxylic acid?
The canonical SMILES for 6-[[3,4-bis(ethenyl)phenoxy]methyl]-4-methylpyridine-2-carboxylic acid is C=Cc1ccc(OCc2cc(C)cc(C(=O)O)n2)cc1C=C.
What is the InChIKey of 6-[[3,4-bis(ethenyl)phenoxy]methyl]-4-methylpyridine-2-carboxylic acid?
The InChIKey is FXUPNRLYSIKNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-4-13-6-7-16(10-14(13)5-2)22-11-15-8-12(3)9-17(19-15)18(20)21/h4-10H,1-2,11H2,3H3,(H,20,21).
What are the key properties of 6-[[3,4-bis(ethenyl)phenoxy]methyl]-4-methylpyridine-2-carboxylic acid?
6-[[3,4-bis(ethenyl)phenoxy]methyl]-4-methylpyridine-2-carboxylic acid has a molecular weight of 295.34 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3,4-bis(ethenyl)phenoxy]methyl]-4-methylpyridine-2-carboxylic acid is sourced from PubChem (CID 155701669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).