2-[[4-[1-[4-(oxiran-2-ylmethoxy)naphthalen-1-yl]ethyl]phenoxy]methyl]oxirane

C24H24O4 — CID 151987965

IUPAC2-[[4-[1-[4-(oxiran-2-ylmethoxy)naphthalen-1-yl]ethyl]phenoxy]methyl]oxirane
SMILESCC(c1ccc(OCC2CO2)cc1)c1ccc(OCC2CO2)c2ccccc12
InChIInChI=1S/C24H24O4/c1-16(17-6-8-18(9-7-17)25-12-19-13-26-19)21-10-11-24(28-15-20-14-27-20)23-5-3-2-4-22(21)23/h2-11,16,19-20H,12-15H2,1H3
InChIKeyUEBGJZYFSOOIBU-UHFFFAOYSA-N
MW376.45 g/mol
LogP4.55
Rot. Bonds8

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

2-[[4-[1-[4-(oxiran-2-ylmethoxy)naphthalen-1-yl]ethyl]phenoxy]methyl]oxirane (PubChem CID 151987965) has the molecular formula C24H24O4 and a molecular weight of 376.45 g/mol. Its IUPAC name is 2-[[4-[1-[4-(oxiran-2-ylmethoxy)naphthalen-1-yl]ethyl]phenoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[4-[1-[4-(oxiran-2-ylmethoxy)naphthalen-1-yl]ethyl]phenoxy]methyl]oxirane
PubChem CID151987965
Molecular FormulaC24H24O4
Molecular Weight376.45 g/mol
Exact Mass376.17
IUPAC Name2-[[4-[1-[4-(oxiran-2-ylmethoxy)naphthalen-1-yl]ethyl]phenoxy]methyl]oxirane
SMILESCC(c1ccc(OCC2CO2)cc1)c1ccc(OCC2CO2)c2ccccc12
InChIInChI=1S/C24H24O4/c1-16(17-6-8-18(9-7-17)25-12-19-13-26-19)21-10-11-24(28-15-20-14-27-20)23-5-3-2-4-22(21)23/h2-11,16,19-20H,12-15H2,1H3
InChIKeyUEBGJZYFSOOIBU-UHFFFAOYSA-N
XLogP4.55
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-[bis[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]phenoxy]methyl]oxirane
CID 19089002
2-[[4-[2-[4-(oxiran-2-ylmethoxy)naphthalen-1-yl]ethyl]phenoxy]methyl]oxirane
CID 174999091
2-[[2-[1-[2-(oxiran-2-ylmethoxy)phenyl]ethyl]phenoxy]methyl]oxirane
CID 22904212
2-[[4-(1-methoxyethyl)phenoxy]methyl]oxirane
CID 22359743
(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
2-[[2,3,4-tri(propan-2-yl)phenoxy]methyl]oxirane
CID 137441560
ethane;tetrakis(2-(phenoxymethyl)oxirane)
CID 160621496
ethane;(2S)-2-(phenoxymethyl)oxirane
CID 164913694
2-[[4-(2,2,4,4-tetramethylpentan-3-yl)phenoxy]methyl]oxirane
CID 123506072
2-[(5-methylnaphthalen-1-yl)oxymethyl]oxirane
CID 129074160
2-[[1-[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]oxirane
CID 86159181
2-[[4-[bis[5-tert-butyl-2-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane
CID 54048313

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[1-[4-(oxiran-2-ylmethoxy)naphthalen-1-yl]ethyl]phenoxy]methyl]oxirane?
The IUPAC name of 2-[[4-[1-[4-(oxiran-2-ylmethoxy)naphthalen-1-yl]ethyl]phenoxy]methyl]oxirane (CID 151987965) is 2-[[4-[1-[4-(oxiran-2-ylmethoxy)naphthalen-1-yl]ethyl]phenoxy]methyl]oxirane.
What is the SMILES notation for 2-[[4-[1-[4-(oxiran-2-ylmethoxy)naphthalen-1-yl]ethyl]phenoxy]methyl]oxirane?
The canonical SMILES for 2-[[4-[1-[4-(oxiran-2-ylmethoxy)naphthalen-1-yl]ethyl]phenoxy]methyl]oxirane is CC(c1ccc(OCC2CO2)cc1)c1ccc(OCC2CO2)c2ccccc12.
What is the InChIKey of 2-[[4-[1-[4-(oxiran-2-ylmethoxy)naphthalen-1-yl]ethyl]phenoxy]methyl]oxirane?
The InChIKey is UEBGJZYFSOOIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O4/c1-16(17-6-8-18(9-7-17)25-12-19-13-26-19)21-10-11-24(28-15-20-14-27-20)23-5-3-2-4-22(21)23/h2-11,16,19-20H,12-15H2,1H3.
What are the key properties of 2-[[4-[1-[4-(oxiran-2-ylmethoxy)naphthalen-1-yl]ethyl]phenoxy]methyl]oxirane?
2-[[4-[1-[4-(oxiran-2-ylmethoxy)naphthalen-1-yl]ethyl]phenoxy]methyl]oxirane has a molecular weight of 376.45 g/mol, XLogP of 4.55, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[1-[4-(oxiran-2-ylmethoxy)naphthalen-1-yl]ethyl]phenoxy]methyl]oxirane is sourced from PubChem (CID 151987965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).