2-[[3-methyl-6-[[3-[[7-methyl-3-(oxiran-2-ylmethoxy)naphthalen-2-yl]methyl]phenyl]methyl]naphthalen-2-yl]oxymethyl]oxirane

C36H34O4 — CID 20578598

IUPAC2-[[3-methyl-6-[[3-[[7-methyl-3-(oxiran-2-ylmethoxy)naphthalen-2-yl]methyl]phenyl]methyl]naphthalen-2-yl]oxymethyl]oxirane
SMILESCc1ccc2cc(OCC3CO3)c(Cc3cccc(Cc4ccc5cc(OCC6CO6)c(C)cc5c4)c3)cc2c1
InChIInChI=1S/C36H34O4/c1-23-6-8-28-18-36(40-22-34-20-38-34)32(16-30(28)10-23)15-26-5-3-4-25(12-26)13-27-7-9-29-17-35(39-21-33-19-37-33)24(2)11-31(29)14-27/h3-12,14,16-18,33-34H,13,15,19-22H2,1-2H3
InChIKeyKAYIFIUCQLISFH-UHFFFAOYSA-N
MW530.66 g/mol
LogP7.35
Rot. Bonds10

About 2-[[3-methyl-6-[[3-[[7-methyl-3-(oxiran-2-ylmethoxy)naphthalen-2-yl]methyl]phenyl]methyl]naphthalen-2-yl]oxymethyl]oxirane

2-[[3-methyl-6-[[3-[[7-methyl-3-(oxiran-2-ylmethoxy)naphthalen-2-yl]methyl]phenyl]methyl]naphthalen-2-yl]oxymethyl]oxirane (PubChem CID 20578598) has the molecular formula C36H34O4 and a molecular weight of 530.66 g/mol. Its IUPAC name is 2-[[3-methyl-6-[[3-[[7-methyl-3-(oxiran-2-ylmethoxy)naphthalen-2-yl]methyl]phenyl]methyl]naphthalen-2-yl]oxymethyl]oxirane.

Molecular Properties

Compound Name2-[[3-methyl-6-[[3-[[7-methyl-3-(oxiran-2-ylmethoxy)naphthalen-2-yl]methyl]phenyl]methyl]naphthalen-2-yl]oxymethyl]oxirane
PubChem CID20578598
Molecular FormulaC36H34O4
Molecular Weight530.66 g/mol
Exact Mass530.25
IUPAC Name2-[[3-methyl-6-[[3-[[7-methyl-3-(oxiran-2-ylmethoxy)naphthalen-2-yl]methyl]phenyl]methyl]naphthalen-2-yl]oxymethyl]oxirane
SMILESCc1ccc2cc(OCC3CO3)c(Cc3cccc(Cc4ccc5cc(OCC6CO6)c(C)cc5c4)c3)cc2c1
InChIInChI=1S/C36H34O4/c1-23-6-8-28-18-36(40-22-34-20-38-34)32(16-30(28)10-23)15-26-5-3-4-25(12-26)13-27-7-9-29-17-35(39-21-33-19-37-33)24(2)11-31(29)14-27/h3-12,14,16-18,33-34H,13,15,19-22H2,1-2H3
InChIKeyKAYIFIUCQLISFH-UHFFFAOYSA-N
XLogP7.35
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.66
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[3-methyl-6-[[3-[[7-methyl-3-(oxiran-2-ylmethoxy)naphthalen-2-yl]methyl]phenyl]methyl]naphthalen-2-yl]oxymethyl]oxirane with MolForge

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Related Compounds

2-[[2,5-bis[[3-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane
CID 54565634
2-[[4-[[3-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane
CID 134221521
2,3-dimethyl-6-[(6-methylnaphthalen-2-yl)methyl]naphthalene
CID 142943343
2-[[2-methyl-4-[[10-[[3-methyl-4-(oxiran-2-ylmethoxy)phenyl]methyl]anthracen-9-yl]methyl]phenoxy]methyl]oxirane
CID 157341670
2-[[2,5-dimethyl-3-[[4-methyl-3-[[4-methyl-3-(oxiran-2-ylmethoxy)phenyl]methyl]-5-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane
CID 89279977
2-[[3-[[4-[[3-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane;bis(2-[[3-[[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane);2-[[4-[[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane
CID 158459779
2-[[3-methyl-8-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxymethyl]oxirane
CID 139834073
2-[[4-methyl-2-(3-methylphenyl)phenoxy]methyl]oxirane
CID 168860448
2-[[2-[[2-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane;2-[[2-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane;2-[[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane
CID 161076249
(2S)-2-[(2-bromo-5-methylphenoxy)methyl]oxirane
CID 142614118
(2S)-2-[[2-(3-methoxypropyl)-5-methylphenoxy]methyl]oxirane
CID 142614302
2-[[6-[2-[3-[2-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxyethyl]phenyl]ethoxy]naphthalen-2-yl]oxymethyl]oxirane
CID 87877907

Frequently Asked Questions

What is the IUPAC name of 2-[[3-methyl-6-[[3-[[7-methyl-3-(oxiran-2-ylmethoxy)naphthalen-2-yl]methyl]phenyl]methyl]naphthalen-2-yl]oxymethyl]oxirane?
The IUPAC name of 2-[[3-methyl-6-[[3-[[7-methyl-3-(oxiran-2-ylmethoxy)naphthalen-2-yl]methyl]phenyl]methyl]naphthalen-2-yl]oxymethyl]oxirane (CID 20578598) is 2-[[3-methyl-6-[[3-[[7-methyl-3-(oxiran-2-ylmethoxy)naphthalen-2-yl]methyl]phenyl]methyl]naphthalen-2-yl]oxymethyl]oxirane.
What is the SMILES notation for 2-[[3-methyl-6-[[3-[[7-methyl-3-(oxiran-2-ylmethoxy)naphthalen-2-yl]methyl]phenyl]methyl]naphthalen-2-yl]oxymethyl]oxirane?
The canonical SMILES for 2-[[3-methyl-6-[[3-[[7-methyl-3-(oxiran-2-ylmethoxy)naphthalen-2-yl]methyl]phenyl]methyl]naphthalen-2-yl]oxymethyl]oxirane is Cc1ccc2cc(OCC3CO3)c(Cc3cccc(Cc4ccc5cc(OCC6CO6)c(C)cc5c4)c3)cc2c1.
What is the InChIKey of 2-[[3-methyl-6-[[3-[[7-methyl-3-(oxiran-2-ylmethoxy)naphthalen-2-yl]methyl]phenyl]methyl]naphthalen-2-yl]oxymethyl]oxirane?
The InChIKey is KAYIFIUCQLISFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34O4/c1-23-6-8-28-18-36(40-22-34-20-38-34)32(16-30(28)10-23)15-26-5-3-4-25(12-26)13-27-7-9-29-17-35(39-21-33-19-37-33)24(2)11-31(29)14-27/h3-12,14,16-18,33-34H,13,15,19-22H2,1-2H3.
What are the key properties of 2-[[3-methyl-6-[[3-[[7-methyl-3-(oxiran-2-ylmethoxy)naphthalen-2-yl]methyl]phenyl]methyl]naphthalen-2-yl]oxymethyl]oxirane?
2-[[3-methyl-6-[[3-[[7-methyl-3-(oxiran-2-ylmethoxy)naphthalen-2-yl]methyl]phenyl]methyl]naphthalen-2-yl]oxymethyl]oxirane has a molecular weight of 530.66 g/mol, XLogP of 7.35, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-methyl-6-[[3-[[7-methyl-3-(oxiran-2-ylmethoxy)naphthalen-2-yl]methyl]phenyl]methyl]naphthalen-2-yl]oxymethyl]oxirane is sourced from PubChem (CID 20578598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).