2-[[4-methyl-2,6-bis[[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]phenoxy]methyl]oxirane

C38H36O6 — CID 118360921

IUPAC2-[[4-methyl-2,6-bis[[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]phenoxy]methyl]oxirane
SMILESCc1cc(Cc2c(OCC3CO3)ccc3ccccc23)c(OCC2CO2)c(Cc2c(OCC3CO3)ccc3ccccc23)c1
InChIInChI=1S/C38H36O6/c1-24-14-27(16-34-32-8-4-2-6-25(32)10-12-36(34)42-21-29-18-39-29)38(44-23-31-20-41-31)28(15-24)17-35-33-9-5-3-7-26(33)11-13-37(35)43-22-30-19-40-30/h2-15,29-31H,16-23H2,1H3
InChIKeyXQYXXVVCYAQWJE-UHFFFAOYSA-N
MW588.70 g/mol
LogP6.82
Rot. Bonds13

About 2-[[4-methyl-2,6-bis[[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]phenoxy]methyl]oxirane

2-[[4-methyl-2,6-bis[[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]phenoxy]methyl]oxirane (PubChem CID 118360921) has the molecular formula C38H36O6 and a molecular weight of 588.70 g/mol. Its IUPAC name is 2-[[4-methyl-2,6-bis[[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]phenoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[4-methyl-2,6-bis[[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]phenoxy]methyl]oxirane
PubChem CID118360921
Molecular FormulaC38H36O6
Molecular Weight588.70 g/mol
Exact Mass588.25
IUPAC Name2-[[4-methyl-2,6-bis[[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]phenoxy]methyl]oxirane
SMILESCc1cc(Cc2c(OCC3CO3)ccc3ccccc23)c(OCC2CO2)c(Cc2c(OCC3CO3)ccc3ccccc23)c1
InChIInChI=1S/C38H36O6/c1-24-14-27(16-34-32-8-4-2-6-25(32)10-12-36(34)42-21-29-18-39-29)38(44-23-31-20-41-31)28(15-24)17-35-33-9-5-3-7-26(33)11-13-37(35)43-22-30-19-40-30/h2-15,29-31H,16-23H2,1H3
InChIKeyXQYXXVVCYAQWJE-UHFFFAOYSA-N
XLogP6.82
TPSA65.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.70
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[[4-methyl-2,6-bis[[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]phenoxy]methyl]oxirane with MolForge

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Related Compounds

2-[[2-[[10-[[3,5-dimethyl-2-(oxiran-2-ylmethoxy)phenyl]methyl]anthracen-9-yl]methyl]-4,6-dimethylphenoxy]methyl]oxirane
CID 102426138
2-[[1-[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]oxirane
CID 86159181
2-[[2-methyl-4-[[10-[[3-methyl-4-(oxiran-2-ylmethoxy)phenyl]methyl]anthracen-9-yl]methyl]phenoxy]methyl]oxirane
CID 157341670
2-[[1-[2-[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]propan-2-yl]naphthalen-2-yl]oxymethyl]oxirane
CID 156790199
2-[[4-methyl-2-[[5-methyl-3-[[5-methyl-3-[[5-methyl-2-(oxiran-2-ylmethoxy)phenyl]methyl]-2-(oxiran-2-ylmethoxy)phenyl]methyl]-2-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane;1,3,4,6-tetrakis(methoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
CID 162125485
2-[[2-[[2-(oxiran-2-ylmethoxy)-3-[[2-(oxiran-2-ylmethoxy)-3-[[2-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane
CID 134322112
2-[[3-methyl-8-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxymethyl]oxirane
CID 139834073
(2S)-2-[[3-[[(2R)-oxiran-2-yl]methoxy]naphthalen-1-yl]oxymethyl]oxirane
CID 89326132
ethane;2-[(2-methylphenoxy)methyl]oxirane;bis(2-(naphthalen-1-yloxymethyl)oxirane);propane
CID 158467140
ethane;2-[[2-[[2-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane
CID 158003640
2-[(2,3,4-tribenzylphenoxy)methyl]oxirane
CID 121267117
(2R)-2-[(2,6-dimethylphenoxy)methyl]oxirane
CID 7127515

Frequently Asked Questions

What is the IUPAC name of 2-[[4-methyl-2,6-bis[[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]phenoxy]methyl]oxirane?
The IUPAC name of 2-[[4-methyl-2,6-bis[[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]phenoxy]methyl]oxirane (CID 118360921) is 2-[[4-methyl-2,6-bis[[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]phenoxy]methyl]oxirane.
What is the SMILES notation for 2-[[4-methyl-2,6-bis[[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]phenoxy]methyl]oxirane?
The canonical SMILES for 2-[[4-methyl-2,6-bis[[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]phenoxy]methyl]oxirane is Cc1cc(Cc2c(OCC3CO3)ccc3ccccc23)c(OCC2CO2)c(Cc2c(OCC3CO3)ccc3ccccc23)c1.
What is the InChIKey of 2-[[4-methyl-2,6-bis[[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]phenoxy]methyl]oxirane?
The InChIKey is XQYXXVVCYAQWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H36O6/c1-24-14-27(16-34-32-8-4-2-6-25(32)10-12-36(34)42-21-29-18-39-29)38(44-23-31-20-41-31)28(15-24)17-35-33-9-5-3-7-26(33)11-13-37(35)43-22-30-19-40-30/h2-15,29-31H,16-23H2,1H3.
What are the key properties of 2-[[4-methyl-2,6-bis[[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]phenoxy]methyl]oxirane?
2-[[4-methyl-2,6-bis[[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]phenoxy]methyl]oxirane has a molecular weight of 588.70 g/mol, XLogP of 6.82, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-methyl-2,6-bis[[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]phenoxy]methyl]oxirane is sourced from PubChem (CID 118360921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).