4-ethenyl-2-(7-methoxy-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)-5-methylpyridine

C18H19NO3 — CID 135181112

IUPAC4-ethenyl-2-(7-methoxy-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)-5-methylpyridine
SMILESC=Cc1cc(-c2c(C)c(OC)cc3c2OCCO3)ncc1C
InChIInChI=1S/C18H19NO3/c1-5-13-8-14(19-10-11(13)2)17-12(3)15(20-4)9-16-18(17)22-7-6-21-16/h5,8-10H,1,6-7H2,2-4H3
InChIKeyBVBHBESKQSVCNS-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.79
Rot. Bonds3

About 4-ethenyl-2-(7-methoxy-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)-5-methylpyridine

4-ethenyl-2-(7-methoxy-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)-5-methylpyridine (PubChem CID 135181112) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 4-ethenyl-2-(7-methoxy-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)-5-methylpyridine.

Molecular Properties

Compound Name4-ethenyl-2-(7-methoxy-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)-5-methylpyridine
PubChem CID135181112
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name4-ethenyl-2-(7-methoxy-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)-5-methylpyridine
SMILESC=Cc1cc(-c2c(C)c(OC)cc3c2OCCO3)ncc1C
InChIInChI=1S/C18H19NO3/c1-5-13-8-14(19-10-11(13)2)17-12(3)15(20-4)9-16-18(17)22-7-6-21-16/h5,8-10H,1,6-7H2,2-4H3
InChIKeyBVBHBESKQSVCNS-UHFFFAOYSA-N
XLogP3.79
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2-(7-methoxy-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)-5-methylpyridine?
The IUPAC name of 4-ethenyl-2-(7-methoxy-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)-5-methylpyridine (CID 135181112) is 4-ethenyl-2-(7-methoxy-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)-5-methylpyridine.
What is the SMILES notation for 4-ethenyl-2-(7-methoxy-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)-5-methylpyridine?
The canonical SMILES for 4-ethenyl-2-(7-methoxy-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)-5-methylpyridine is C=Cc1cc(-c2c(C)c(OC)cc3c2OCCO3)ncc1C.
What is the InChIKey of 4-ethenyl-2-(7-methoxy-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)-5-methylpyridine?
The InChIKey is BVBHBESKQSVCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-5-13-8-14(19-10-11(13)2)17-12(3)15(20-4)9-16-18(17)22-7-6-21-16/h5,8-10H,1,6-7H2,2-4H3.
What are the key properties of 4-ethenyl-2-(7-methoxy-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)-5-methylpyridine?
4-ethenyl-2-(7-methoxy-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)-5-methylpyridine has a molecular weight of 297.35 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2-(7-methoxy-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)-5-methylpyridine is sourced from PubChem (CID 135181112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).