2-methyl-4,6-bis[[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxy]pyridine

C32H27NO6 — CID 87454025

IUPAC2-methyl-4,6-bis[[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxy]pyridine
SMILESCc1cc(Oc2ccc3cc(OCC4CO4)ccc3c2)cc(Oc2ccc3cc(OCC4CO4)ccc3c2)n1
InChIInChI=1S/C32H27NO6/c1-20-10-29(38-27-8-4-21-11-25(6-2-23(21)13-27)34-16-30-18-36-30)15-32(33-20)39-28-9-5-22-12-26(7-3-24(22)14-28)35-17-31-19-37-31/h2-15,30-31H,16-19H2,1H3
InChIKeyZCBVKLIRXSEVCB-UHFFFAOYSA-N
MW521.57 g/mol
LogP6.84
Rot. Bonds10

About 2-methyl-4,6-bis[[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxy]pyridine

2-methyl-4,6-bis[[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxy]pyridine (PubChem CID 87454025) has the molecular formula C32H27NO6 and a molecular weight of 521.57 g/mol. Its IUPAC name is 2-methyl-4,6-bis[[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxy]pyridine.

Molecular Properties

Compound Name2-methyl-4,6-bis[[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxy]pyridine
PubChem CID87454025
Molecular FormulaC32H27NO6
Molecular Weight521.57 g/mol
Exact Mass521.18
IUPAC Name2-methyl-4,6-bis[[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxy]pyridine
SMILESCc1cc(Oc2ccc3cc(OCC4CO4)ccc3c2)cc(Oc2ccc3cc(OCC4CO4)ccc3c2)n1
InChIInChI=1S/C32H27NO6/c1-20-10-29(38-27-8-4-21-11-25(6-2-23(21)13-27)34-16-30-18-36-30)15-32(33-20)39-28-9-5-22-12-26(7-3-24(22)14-28)35-17-31-19-37-31/h2-15,30-31H,16-19H2,1H3
InChIKeyZCBVKLIRXSEVCB-UHFFFAOYSA-N
XLogP6.84
TPSA74.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.57
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-[[4-methyl-7-[7-[7-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxynaphthalen-2-yl]oxynaphthalen-2-yl]oxymethyl]oxirane
CID 163890567
2-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxypyrimidine
CID 142978717
(2S)-2-(naphthalen-2-yloxymethyl)oxirane
CID 726163
naphthalene-2,6-diol;2-[[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxymethyl]oxirane
CID 167603505
2,4-bis(oxiran-2-ylmethoxy)pyridine
CID 129186899
(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
(2S)-2-[(4-fluoro-3-methylphenoxy)methyl]oxirane
CID 130493263
(2S)-2-[(3-chloro-4-methylphenoxy)methyl]oxirane
CID 40802006
2-[[3-[3-[3-(2-methoxyethoxy)phenoxy]phenoxy]phenoxy]methyl]oxirane
CID 166849905
4-methyl-3,6-bis[4-[4-(oxiran-2-ylmethoxy)phenyl]phenoxy]pyridazine
CID 87453844
2-methyl-6-[[(2S)-oxiran-2-yl]methoxy]-1,3-benzothiazole
CID 94044665
2-[[4-[4-[3-[4-[4-(oxiran-2-ylmethoxy)phenyl]phenoxy]phenoxy]phenyl]phenoxy]methyl]oxirane
CID 87453140

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,6-bis[[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxy]pyridine?
The IUPAC name of 2-methyl-4,6-bis[[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxy]pyridine (CID 87454025) is 2-methyl-4,6-bis[[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxy]pyridine.
What is the SMILES notation for 2-methyl-4,6-bis[[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxy]pyridine?
The canonical SMILES for 2-methyl-4,6-bis[[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxy]pyridine is Cc1cc(Oc2ccc3cc(OCC4CO4)ccc3c2)cc(Oc2ccc3cc(OCC4CO4)ccc3c2)n1.
What is the InChIKey of 2-methyl-4,6-bis[[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxy]pyridine?
The InChIKey is ZCBVKLIRXSEVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27NO6/c1-20-10-29(38-27-8-4-21-11-25(6-2-23(21)13-27)34-16-30-18-36-30)15-32(33-20)39-28-9-5-22-12-26(7-3-24(22)14-28)35-17-31-19-37-31/h2-15,30-31H,16-19H2,1H3.
What are the key properties of 2-methyl-4,6-bis[[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxy]pyridine?
2-methyl-4,6-bis[[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxy]pyridine has a molecular weight of 521.57 g/mol, XLogP of 6.84, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,6-bis[[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxy]pyridine is sourced from PubChem (CID 87454025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).