4-[[3,5-bis[(4-methoxyphenyl)methoxy]phenyl]methoxy]-1,2-dihydropyridine

C28H29NO5 — CID 163566681

IUPAC4-[[3,5-bis[(4-methoxyphenyl)methoxy]phenyl]methoxy]-1,2-dihydropyridine
SMILESCOc1ccc(COc2cc(COC3=CCNC=C3)cc(OCc3ccc(OC)cc3)c2)cc1
InChIInChI=1S/C28H29NO5/c1-30-24-7-3-21(4-8-24)18-33-27-15-23(20-32-26-11-13-29-14-12-26)16-28(17-27)34-19-22-5-9-25(31-2)10-6-22/h3-13,15-17,29H,14,18-20H2,1-2H3
InChIKeyFVUWMLJAZSSEHD-UHFFFAOYSA-N
MW459.54 g/mol
LogP5.38
Rot. Bonds11

About 4-[[3,5-bis[(4-methoxyphenyl)methoxy]phenyl]methoxy]-1,2-dihydropyridine

4-[[3,5-bis[(4-methoxyphenyl)methoxy]phenyl]methoxy]-1,2-dihydropyridine (PubChem CID 163566681) has the molecular formula C28H29NO5 and a molecular weight of 459.54 g/mol. Its IUPAC name is 4-[[3,5-bis[(4-methoxyphenyl)methoxy]phenyl]methoxy]-1,2-dihydropyridine.

Molecular Properties

Compound Name4-[[3,5-bis[(4-methoxyphenyl)methoxy]phenyl]methoxy]-1,2-dihydropyridine
PubChem CID163566681
Molecular FormulaC28H29NO5
Molecular Weight459.54 g/mol
Exact Mass459.20
IUPAC Name4-[[3,5-bis[(4-methoxyphenyl)methoxy]phenyl]methoxy]-1,2-dihydropyridine
SMILESCOc1ccc(COc2cc(COC3=CCNC=C3)cc(OCc3ccc(OC)cc3)c2)cc1
InChIInChI=1S/C28H29NO5/c1-30-24-7-3-21(4-8-24)18-33-27-15-23(20-32-26-11-13-29-14-12-26)16-28(17-27)34-19-22-5-9-25(31-2)10-6-22/h3-13,15-17,29H,14,18-20H2,1-2H3
InChIKeyFVUWMLJAZSSEHD-UHFFFAOYSA-N
XLogP5.38
TPSA58.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.54
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[3,5-bis[(4-methoxyphenyl)methoxy]phenyl]methoxy]-1,2-dihydropyridine?
The IUPAC name of 4-[[3,5-bis[(4-methoxyphenyl)methoxy]phenyl]methoxy]-1,2-dihydropyridine (CID 163566681) is 4-[[3,5-bis[(4-methoxyphenyl)methoxy]phenyl]methoxy]-1,2-dihydropyridine.
What is the SMILES notation for 4-[[3,5-bis[(4-methoxyphenyl)methoxy]phenyl]methoxy]-1,2-dihydropyridine?
The canonical SMILES for 4-[[3,5-bis[(4-methoxyphenyl)methoxy]phenyl]methoxy]-1,2-dihydropyridine is COc1ccc(COc2cc(COC3=CCNC=C3)cc(OCc3ccc(OC)cc3)c2)cc1.
What is the InChIKey of 4-[[3,5-bis[(4-methoxyphenyl)methoxy]phenyl]methoxy]-1,2-dihydropyridine?
The InChIKey is FVUWMLJAZSSEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29NO5/c1-30-24-7-3-21(4-8-24)18-33-27-15-23(20-32-26-11-13-29-14-12-26)16-28(17-27)34-19-22-5-9-25(31-2)10-6-22/h3-13,15-17,29H,14,18-20H2,1-2H3.
What are the key properties of 4-[[3,5-bis[(4-methoxyphenyl)methoxy]phenyl]methoxy]-1,2-dihydropyridine?
4-[[3,5-bis[(4-methoxyphenyl)methoxy]phenyl]methoxy]-1,2-dihydropyridine has a molecular weight of 459.54 g/mol, XLogP of 5.38, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3,5-bis[(4-methoxyphenyl)methoxy]phenyl]methoxy]-1,2-dihydropyridine is sourced from PubChem (CID 163566681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).