2-[(2-phenoxyphenyl)methoxy]-5-(3,4,5-trimethoxyphenyl)pyridine

C27H25NO5 — CID 46209327

IUPAC2-[(2-phenoxyphenyl)methoxy]-5-(3,4,5-trimethoxyphenyl)pyridine
SMILESCOc1cc(-c2ccc(OCc3ccccc3Oc3ccccc3)nc2)cc(OC)c1OC
InChIInChI=1S/C27H25NO5/c1-29-24-15-21(16-25(30-2)27(24)31-3)19-13-14-26(28-17-19)32-18-20-9-7-8-12-23(20)33-22-10-5-4-6-11-22/h4-17H,18H2,1-3H3
InChIKeyGHQUAEOFRZEOSU-UHFFFAOYSA-N
MW443.50 g/mol
LogP6.15
Rot. Bonds9

About 2-[(2-phenoxyphenyl)methoxy]-5-(3,4,5-trimethoxyphenyl)pyridine

2-[(2-phenoxyphenyl)methoxy]-5-(3,4,5-trimethoxyphenyl)pyridine (PubChem CID 46209327) has the molecular formula C27H25NO5 and a molecular weight of 443.50 g/mol. Its IUPAC name is 2-[(2-phenoxyphenyl)methoxy]-5-(3,4,5-trimethoxyphenyl)pyridine.

Molecular Properties

Compound Name2-[(2-phenoxyphenyl)methoxy]-5-(3,4,5-trimethoxyphenyl)pyridine
PubChem CID46209327
Molecular FormulaC27H25NO5
Molecular Weight443.50 g/mol
Exact Mass443.17
IUPAC Name2-[(2-phenoxyphenyl)methoxy]-5-(3,4,5-trimethoxyphenyl)pyridine
SMILESCOc1cc(-c2ccc(OCc3ccccc3Oc3ccccc3)nc2)cc(OC)c1OC
InChIInChI=1S/C27H25NO5/c1-29-24-15-21(16-25(30-2)27(24)31-3)19-13-14-26(28-17-19)32-18-20-9-7-8-12-23(20)33-22-10-5-4-6-11-22/h4-17H,18H2,1-3H3
InChIKeyGHQUAEOFRZEOSU-UHFFFAOYSA-N
XLogP6.15
TPSA59.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.50
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenoxyphenyl)methoxy]-5-(3,4,5-trimethoxyphenyl)pyridine?
The IUPAC name of 2-[(2-phenoxyphenyl)methoxy]-5-(3,4,5-trimethoxyphenyl)pyridine (CID 46209327) is 2-[(2-phenoxyphenyl)methoxy]-5-(3,4,5-trimethoxyphenyl)pyridine.
What is the SMILES notation for 2-[(2-phenoxyphenyl)methoxy]-5-(3,4,5-trimethoxyphenyl)pyridine?
The canonical SMILES for 2-[(2-phenoxyphenyl)methoxy]-5-(3,4,5-trimethoxyphenyl)pyridine is COc1cc(-c2ccc(OCc3ccccc3Oc3ccccc3)nc2)cc(OC)c1OC.
What is the InChIKey of 2-[(2-phenoxyphenyl)methoxy]-5-(3,4,5-trimethoxyphenyl)pyridine?
The InChIKey is GHQUAEOFRZEOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO5/c1-29-24-15-21(16-25(30-2)27(24)31-3)19-13-14-26(28-17-19)32-18-20-9-7-8-12-23(20)33-22-10-5-4-6-11-22/h4-17H,18H2,1-3H3.
What are the key properties of 2-[(2-phenoxyphenyl)methoxy]-5-(3,4,5-trimethoxyphenyl)pyridine?
2-[(2-phenoxyphenyl)methoxy]-5-(3,4,5-trimethoxyphenyl)pyridine has a molecular weight of 443.50 g/mol, XLogP of 6.15, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenoxyphenyl)methoxy]-5-(3,4,5-trimethoxyphenyl)pyridine is sourced from PubChem (CID 46209327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).