2-(3-methoxy-6-methylcyclohexa-1,3-dien-1-yl)-5-methylpyridine

C14H17NO — CID 177235407

IUPAC2-(3-methoxy-6-methylcyclohexa-1,3-dien-1-yl)-5-methylpyridine
SMILESCOC1=CCC(C)C(c2ccc(C)cn2)=C1
InChIInChI=1S/C14H17NO/c1-10-4-7-14(15-9-10)13-8-12(16-3)6-5-11(13)2/h4,6-9,11H,5H2,1-3H3
InChIKeyLJHXAHYCJMCBJW-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.34
Rot. Bonds2

About 2-(3-methoxy-6-methylcyclohexa-1,3-dien-1-yl)-5-methylpyridine

2-(3-methoxy-6-methylcyclohexa-1,3-dien-1-yl)-5-methylpyridine (PubChem CID 177235407) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-(3-methoxy-6-methylcyclohexa-1,3-dien-1-yl)-5-methylpyridine.

Molecular Properties

Compound Name2-(3-methoxy-6-methylcyclohexa-1,3-dien-1-yl)-5-methylpyridine
PubChem CID177235407
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name2-(3-methoxy-6-methylcyclohexa-1,3-dien-1-yl)-5-methylpyridine
SMILESCOC1=CCC(C)C(c2ccc(C)cn2)=C1
InChIInChI=1S/C14H17NO/c1-10-4-7-14(15-9-10)13-8-12(16-3)6-5-11(13)2/h4,6-9,11H,5H2,1-3H3
InChIKeyLJHXAHYCJMCBJW-UHFFFAOYSA-N
XLogP3.34
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-6-methylcyclohexa-1,3-dien-1-yl)-5-methylpyridine?
The IUPAC name of 2-(3-methoxy-6-methylcyclohexa-1,3-dien-1-yl)-5-methylpyridine (CID 177235407) is 2-(3-methoxy-6-methylcyclohexa-1,3-dien-1-yl)-5-methylpyridine.
What is the SMILES notation for 2-(3-methoxy-6-methylcyclohexa-1,3-dien-1-yl)-5-methylpyridine?
The canonical SMILES for 2-(3-methoxy-6-methylcyclohexa-1,3-dien-1-yl)-5-methylpyridine is COC1=CCC(C)C(c2ccc(C)cn2)=C1.
What is the InChIKey of 2-(3-methoxy-6-methylcyclohexa-1,3-dien-1-yl)-5-methylpyridine?
The InChIKey is LJHXAHYCJMCBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-10-4-7-14(15-9-10)13-8-12(16-3)6-5-11(13)2/h4,6-9,11H,5H2,1-3H3.
What are the key properties of 2-(3-methoxy-6-methylcyclohexa-1,3-dien-1-yl)-5-methylpyridine?
2-(3-methoxy-6-methylcyclohexa-1,3-dien-1-yl)-5-methylpyridine has a molecular weight of 215.30 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-6-methylcyclohexa-1,3-dien-1-yl)-5-methylpyridine is sourced from PubChem (CID 177235407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).