2-[6-(2-chloro-5-propan-2-ylphenoxy)-5-methylhexan-2-yl]oxy-5-propan-2-ylpyridine

C24H34ClNO2 — CID 130223914

IUPAC2-[6-(2-chloro-5-propan-2-ylphenoxy)-5-methylhexan-2-yl]oxy-5-propan-2-ylpyridine
SMILESCC(CCC(C)Oc1ccc(C(C)C)cn1)COc1cc(C(C)C)ccc1Cl
InChIInChI=1S/C24H34ClNO2/c1-16(2)20-9-11-22(25)23(13-20)27-15-18(5)7-8-19(6)28-24-12-10-21(14-26-24)17(3)4/h9-14,16-19H,7-8,15H2,1-6H3
InChIKeyBJPAHNUIIFWPOP-UHFFFAOYSA-N
MW403.99 g/mol
LogP7.24
Rot. Bonds10

About 2-[6-(2-chloro-5-propan-2-ylphenoxy)-5-methylhexan-2-yl]oxy-5-propan-2-ylpyridine

2-[6-(2-chloro-5-propan-2-ylphenoxy)-5-methylhexan-2-yl]oxy-5-propan-2-ylpyridine (PubChem CID 130223914) has the molecular formula C24H34ClNO2 and a molecular weight of 403.99 g/mol. Its IUPAC name is 2-[6-(2-chloro-5-propan-2-ylphenoxy)-5-methylhexan-2-yl]oxy-5-propan-2-ylpyridine.

Molecular Properties

Compound Name2-[6-(2-chloro-5-propan-2-ylphenoxy)-5-methylhexan-2-yl]oxy-5-propan-2-ylpyridine
PubChem CID130223914
Molecular FormulaC24H34ClNO2
Molecular Weight403.99 g/mol
Exact Mass403.23
IUPAC Name2-[6-(2-chloro-5-propan-2-ylphenoxy)-5-methylhexan-2-yl]oxy-5-propan-2-ylpyridine
SMILESCC(CCC(C)Oc1ccc(C(C)C)cn1)COc1cc(C(C)C)ccc1Cl
InChIInChI=1S/C24H34ClNO2/c1-16(2)20-9-11-22(25)23(13-20)27-15-18(5)7-8-19(6)28-24-12-10-21(14-26-24)17(3)4/h9-14,16-19H,7-8,15H2,1-6H3
InChIKeyBJPAHNUIIFWPOP-UHFFFAOYSA-N
XLogP7.24
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.99
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-chloro-5-propan-2-ylphenoxy)-5-methylhexan-2-yl]oxy-5-propan-2-ylpyridine?
The IUPAC name of 2-[6-(2-chloro-5-propan-2-ylphenoxy)-5-methylhexan-2-yl]oxy-5-propan-2-ylpyridine (CID 130223914) is 2-[6-(2-chloro-5-propan-2-ylphenoxy)-5-methylhexan-2-yl]oxy-5-propan-2-ylpyridine.
What is the SMILES notation for 2-[6-(2-chloro-5-propan-2-ylphenoxy)-5-methylhexan-2-yl]oxy-5-propan-2-ylpyridine?
The canonical SMILES for 2-[6-(2-chloro-5-propan-2-ylphenoxy)-5-methylhexan-2-yl]oxy-5-propan-2-ylpyridine is CC(CCC(C)Oc1ccc(C(C)C)cn1)COc1cc(C(C)C)ccc1Cl.
What is the InChIKey of 2-[6-(2-chloro-5-propan-2-ylphenoxy)-5-methylhexan-2-yl]oxy-5-propan-2-ylpyridine?
The InChIKey is BJPAHNUIIFWPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34ClNO2/c1-16(2)20-9-11-22(25)23(13-20)27-15-18(5)7-8-19(6)28-24-12-10-21(14-26-24)17(3)4/h9-14,16-19H,7-8,15H2,1-6H3.
What are the key properties of 2-[6-(2-chloro-5-propan-2-ylphenoxy)-5-methylhexan-2-yl]oxy-5-propan-2-ylpyridine?
2-[6-(2-chloro-5-propan-2-ylphenoxy)-5-methylhexan-2-yl]oxy-5-propan-2-ylpyridine has a molecular weight of 403.99 g/mol, XLogP of 7.24, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-chloro-5-propan-2-ylphenoxy)-5-methylhexan-2-yl]oxy-5-propan-2-ylpyridine is sourced from PubChem (CID 130223914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).