6-(2,6-diethylphenyl)-2,4-dimethyl-3-[(3-propylphenoxy)methyl]pyridine

C27H33NO — CID 66994787

IUPAC6-(2,6-diethylphenyl)-2,4-dimethyl-3-[(3-propylphenoxy)methyl]pyridine
SMILESCCCc1cccc(OCc2c(C)cc(-c3c(CC)cccc3CC)nc2C)c1
InChIInChI=1S/C27H33NO/c1-6-11-21-12-9-15-24(17-21)29-18-25-19(4)16-26(28-20(25)5)27-22(7-2)13-10-14-23(27)8-3/h9-10,12-17H,6-8,11,18H2,1-5H3
InChIKeySFEYATXCRGOWSD-UHFFFAOYSA-N
MW387.57 g/mol
LogP7.02
Rot. Bonds8

About 6-(2,6-diethylphenyl)-2,4-dimethyl-3-[(3-propylphenoxy)methyl]pyridine

6-(2,6-diethylphenyl)-2,4-dimethyl-3-[(3-propylphenoxy)methyl]pyridine (PubChem CID 66994787) has the molecular formula C27H33NO and a molecular weight of 387.57 g/mol. Its IUPAC name is 6-(2,6-diethylphenyl)-2,4-dimethyl-3-[(3-propylphenoxy)methyl]pyridine.

Molecular Properties

Compound Name6-(2,6-diethylphenyl)-2,4-dimethyl-3-[(3-propylphenoxy)methyl]pyridine
PubChem CID66994787
Molecular FormulaC27H33NO
Molecular Weight387.57 g/mol
Exact Mass387.26
IUPAC Name6-(2,6-diethylphenyl)-2,4-dimethyl-3-[(3-propylphenoxy)methyl]pyridine
SMILESCCCc1cccc(OCc2c(C)cc(-c3c(CC)cccc3CC)nc2C)c1
InChIInChI=1S/C27H33NO/c1-6-11-21-12-9-15-24(17-21)29-18-25-19(4)16-26(28-20(25)5)27-22(7-2)13-10-14-23(27)8-3/h9-10,12-17H,6-8,11,18H2,1-5H3
InChIKeySFEYATXCRGOWSD-UHFFFAOYSA-N
XLogP7.02
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.57
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-diethylphenyl)-2,4-dimethyl-3-[(3-propylphenoxy)methyl]pyridine?
The IUPAC name of 6-(2,6-diethylphenyl)-2,4-dimethyl-3-[(3-propylphenoxy)methyl]pyridine (CID 66994787) is 6-(2,6-diethylphenyl)-2,4-dimethyl-3-[(3-propylphenoxy)methyl]pyridine.
What is the SMILES notation for 6-(2,6-diethylphenyl)-2,4-dimethyl-3-[(3-propylphenoxy)methyl]pyridine?
The canonical SMILES for 6-(2,6-diethylphenyl)-2,4-dimethyl-3-[(3-propylphenoxy)methyl]pyridine is CCCc1cccc(OCc2c(C)cc(-c3c(CC)cccc3CC)nc2C)c1.
What is the InChIKey of 6-(2,6-diethylphenyl)-2,4-dimethyl-3-[(3-propylphenoxy)methyl]pyridine?
The InChIKey is SFEYATXCRGOWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33NO/c1-6-11-21-12-9-15-24(17-21)29-18-25-19(4)16-26(28-20(25)5)27-22(7-2)13-10-14-23(27)8-3/h9-10,12-17H,6-8,11,18H2,1-5H3.
What are the key properties of 6-(2,6-diethylphenyl)-2,4-dimethyl-3-[(3-propylphenoxy)methyl]pyridine?
6-(2,6-diethylphenyl)-2,4-dimethyl-3-[(3-propylphenoxy)methyl]pyridine has a molecular weight of 387.57 g/mol, XLogP of 7.02, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-diethylphenyl)-2,4-dimethyl-3-[(3-propylphenoxy)methyl]pyridine is sourced from PubChem (CID 66994787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).