2-[2-[4-[2-methoxy-5-(2-pyridin-2-ylethyl)phenoxy]phenyl]ethyl]pyridine

C27H26N2O2 — CID 46735356

IUPAC2-[2-[4-[2-methoxy-5-(2-pyridin-2-ylethyl)phenoxy]phenyl]ethyl]pyridine
SMILESCOc1ccc(CCc2ccccn2)cc1Oc1ccc(CCc2ccccn2)cc1
InChIInChI=1S/C27H26N2O2/c1-30-26-17-12-22(9-14-24-7-3-5-19-29-24)20-27(26)31-25-15-10-21(11-16-25)8-13-23-6-2-4-18-28-23/h2-7,10-12,15-20H,8-9,13-14H2,1H3
InChIKeyHUVHHJSRWRBIMV-UHFFFAOYSA-N
MW410.52 g/mol
LogP5.85
Rot. Bonds9

About 2-[2-[4-[2-methoxy-5-(2-pyridin-2-ylethyl)phenoxy]phenyl]ethyl]pyridine

2-[2-[4-[2-methoxy-5-(2-pyridin-2-ylethyl)phenoxy]phenyl]ethyl]pyridine (PubChem CID 46735356) has the molecular formula C27H26N2O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 2-[2-[4-[2-methoxy-5-(2-pyridin-2-ylethyl)phenoxy]phenyl]ethyl]pyridine.

Molecular Properties

Compound Name2-[2-[4-[2-methoxy-5-(2-pyridin-2-ylethyl)phenoxy]phenyl]ethyl]pyridine
PubChem CID46735356
Molecular FormulaC27H26N2O2
Molecular Weight410.52 g/mol
Exact Mass410.20
IUPAC Name2-[2-[4-[2-methoxy-5-(2-pyridin-2-ylethyl)phenoxy]phenyl]ethyl]pyridine
SMILESCOc1ccc(CCc2ccccn2)cc1Oc1ccc(CCc2ccccn2)cc1
InChIInChI=1S/C27H26N2O2/c1-30-26-17-12-22(9-14-24-7-3-5-19-29-24)20-27(26)31-25-15-10-21(11-16-25)8-13-23-6-2-4-18-28-23/h2-7,10-12,15-20H,8-9,13-14H2,1H3
InChIKeyHUVHHJSRWRBIMV-UHFFFAOYSA-N
XLogP5.85
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-dimethoxy-5-[2-[4-[2-methoxy-5-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
CID 172871269
4-[2-[4-[2-methoxy-5-[2-(1-methylpyridin-1-ium-4-yl)ethyl]phenoxy]phenyl]ethyl]-1-methylpyridin-1-ium diiodide
CID 46735421
2-methoxy-4-(2-pyridin-2-ylethyl)pyridine
CID 59293409
1,2,3-trimethoxy-5-[2-[4-[2-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
CID 172870908
1,2-dimethoxy-4-[2-[2-[2-(4-methoxyphenyl)ethyl]phenyl]ethyl]benzene
CID 170457351
1-[[4-(2-methoxyphenoxy)phenyl]methyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111762450
1,2-dimethoxy-4-[2-[4-methoxy-3-[3-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
CID 172870751
1,2-dimethoxy-4-[2-[3-[2-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
CID 172870898
trimethoxy(2-pyridin-2-ylethyl)silane
CID 158126739
N-[2-(3,4-dimethoxyphenyl)ethyl]-2,2-dimethyl-N'-(pyridin-2-ylmethyl)propanediamide
CID 108963351
1,2-dimethoxy-4-[2-[3-[3-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
CID 172871209
4-(3,4-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)butanamide
CID 110410541

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[2-methoxy-5-(2-pyridin-2-ylethyl)phenoxy]phenyl]ethyl]pyridine?
The IUPAC name of 2-[2-[4-[2-methoxy-5-(2-pyridin-2-ylethyl)phenoxy]phenyl]ethyl]pyridine (CID 46735356) is 2-[2-[4-[2-methoxy-5-(2-pyridin-2-ylethyl)phenoxy]phenyl]ethyl]pyridine.
What is the SMILES notation for 2-[2-[4-[2-methoxy-5-(2-pyridin-2-ylethyl)phenoxy]phenyl]ethyl]pyridine?
The canonical SMILES for 2-[2-[4-[2-methoxy-5-(2-pyridin-2-ylethyl)phenoxy]phenyl]ethyl]pyridine is COc1ccc(CCc2ccccn2)cc1Oc1ccc(CCc2ccccn2)cc1.
What is the InChIKey of 2-[2-[4-[2-methoxy-5-(2-pyridin-2-ylethyl)phenoxy]phenyl]ethyl]pyridine?
The InChIKey is HUVHHJSRWRBIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O2/c1-30-26-17-12-22(9-14-24-7-3-5-19-29-24)20-27(26)31-25-15-10-21(11-16-25)8-13-23-6-2-4-18-28-23/h2-7,10-12,15-20H,8-9,13-14H2,1H3.
What are the key properties of 2-[2-[4-[2-methoxy-5-(2-pyridin-2-ylethyl)phenoxy]phenyl]ethyl]pyridine?
2-[2-[4-[2-methoxy-5-(2-pyridin-2-ylethyl)phenoxy]phenyl]ethyl]pyridine has a molecular weight of 410.52 g/mol, XLogP of 5.85, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[2-methoxy-5-(2-pyridin-2-ylethyl)phenoxy]phenyl]ethyl]pyridine is sourced from PubChem (CID 46735356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).