4-(3-cyclopropyloxy-5-methylphenyl)pyridine;ethane

C17H21NO — CID 178154733

IUPAC4-(3-cyclopropyloxy-5-methylphenyl)pyridine;ethane
SMILESCC.Cc1cc(OC2CC2)cc(-c2ccncc2)c1
InChIInChI=1S/C15H15NO.C2H6/c1-11-8-13(12-4-6-16-7-5-12)10-15(9-11)17-14-2-3-14;1-2/h4-10,14H,2-3H2,1H3;1-2H3
InChIKeyKOGQQQAGGZSHKB-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.62
Rot. Bonds3

About 4-(3-cyclopropyloxy-5-methylphenyl)pyridine;ethane

4-(3-cyclopropyloxy-5-methylphenyl)pyridine;ethane (PubChem CID 178154733) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-(3-cyclopropyloxy-5-methylphenyl)pyridine;ethane.

Molecular Properties

Compound Name4-(3-cyclopropyloxy-5-methylphenyl)pyridine;ethane
PubChem CID178154733
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name4-(3-cyclopropyloxy-5-methylphenyl)pyridine;ethane
SMILESCC.Cc1cc(OC2CC2)cc(-c2ccncc2)c1
InChIInChI=1S/C15H15NO.C2H6/c1-11-8-13(12-4-6-16-7-5-12)10-15(9-11)17-14-2-3-14;1-2/h4-10,14H,2-3H2,1H3;1-2H3
InChIKeyKOGQQQAGGZSHKB-UHFFFAOYSA-N
XLogP4.62
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropyloxy-5-methylphenyl)pyridine;ethane?
The IUPAC name of 4-(3-cyclopropyloxy-5-methylphenyl)pyridine;ethane (CID 178154733) is 4-(3-cyclopropyloxy-5-methylphenyl)pyridine;ethane.
What is the SMILES notation for 4-(3-cyclopropyloxy-5-methylphenyl)pyridine;ethane?
The canonical SMILES for 4-(3-cyclopropyloxy-5-methylphenyl)pyridine;ethane is CC.Cc1cc(OC2CC2)cc(-c2ccncc2)c1.
What is the InChIKey of 4-(3-cyclopropyloxy-5-methylphenyl)pyridine;ethane?
The InChIKey is KOGQQQAGGZSHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO.C2H6/c1-11-8-13(12-4-6-16-7-5-12)10-15(9-11)17-14-2-3-14;1-2/h4-10,14H,2-3H2,1H3;1-2H3.
What are the key properties of 4-(3-cyclopropyloxy-5-methylphenyl)pyridine;ethane?
4-(3-cyclopropyloxy-5-methylphenyl)pyridine;ethane has a molecular weight of 255.36 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropyloxy-5-methylphenyl)pyridine;ethane is sourced from PubChem (CID 178154733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).