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

C24H24O4 — CID 174999091

IUPAC2-[[4-[2-[4-(oxiran-2-ylmethoxy)naphthalen-1-yl]ethyl]phenoxy]methyl]oxirane
SMILESc1ccc2c(OCC3CO3)ccc(CCc3ccc(OCC4CO4)cc3)c2c1
InChIInChI=1S/C24H24O4/c1-2-4-23-22(3-1)18(9-12-24(23)28-16-21-15-27-21)8-5-17-6-10-19(11-7-17)25-13-20-14-26-20/h1-4,6-7,9-12,20-21H,5,8,13-16H2
InChIKeySAOAJXGBZCSBSF-UHFFFAOYSA-N
MW376.45 g/mol
LogP4.18
Rot. Bonds9

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

2-[[4-[2-[4-(oxiran-2-ylmethoxy)naphthalen-1-yl]ethyl]phenoxy]methyl]oxirane (PubChem CID 174999091) has the molecular formula C24H24O4 and a molecular weight of 376.45 g/mol. Its IUPAC name is 2-[[4-[2-[4-(oxiran-2-ylmethoxy)naphthalen-1-yl]ethyl]phenoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[4-[2-[4-(oxiran-2-ylmethoxy)naphthalen-1-yl]ethyl]phenoxy]methyl]oxirane
PubChem CID174999091
Molecular FormulaC24H24O4
Molecular Weight376.45 g/mol
Exact Mass376.17
IUPAC Name2-[[4-[2-[4-(oxiran-2-ylmethoxy)naphthalen-1-yl]ethyl]phenoxy]methyl]oxirane
SMILESc1ccc2c(OCC3CO3)ccc(CCc3ccc(OCC4CO4)cc3)c2c1
InChIInChI=1S/C24H24O4/c1-2-4-23-22(3-1)18(9-12-24(23)28-16-21-15-27-21)8-5-17-6-10-19(11-7-17)25-13-20-14-26-20/h1-4,6-7,9-12,20-21H,5,8,13-16H2
InChIKeySAOAJXGBZCSBSF-UHFFFAOYSA-N
XLogP4.18
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 54.18
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-[1-[4-(oxiran-2-ylmethoxy)naphthalen-1-yl]ethyl]phenoxy]methyl]oxirane
CID 151987965
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-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
CID 59015330
CID 59015330
2-[[1-[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]oxirane
CID 86159181
2-[4-(oxiran-2-ylmethoxy)phenyl]ethyl-tritritiosilane
CID 140880612
4-(oxiran-2-ylmethoxy)naphthalene-1-carbaldehyde
CID 22999320
2-[[4-[bis[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]phenoxy]methyl]oxirane
CID 19089002
4-[4-(oxiran-2-ylmethoxy)phenyl]butanoic acid
CID 175189091
ethene;2-(phenoxymethyl)oxirane
CID 135283522
ethane;tetrakis(2-(phenoxymethyl)oxirane)
CID 160621496
ethane;(2S)-2-(phenoxymethyl)oxirane
CID 164913694

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-[4-(oxiran-2-ylmethoxy)naphthalen-1-yl]ethyl]phenoxy]methyl]oxirane?
The IUPAC name of 2-[[4-[2-[4-(oxiran-2-ylmethoxy)naphthalen-1-yl]ethyl]phenoxy]methyl]oxirane (CID 174999091) is 2-[[4-[2-[4-(oxiran-2-ylmethoxy)naphthalen-1-yl]ethyl]phenoxy]methyl]oxirane.
What is the SMILES notation for 2-[[4-[2-[4-(oxiran-2-ylmethoxy)naphthalen-1-yl]ethyl]phenoxy]methyl]oxirane?
The canonical SMILES for 2-[[4-[2-[4-(oxiran-2-ylmethoxy)naphthalen-1-yl]ethyl]phenoxy]methyl]oxirane is c1ccc2c(OCC3CO3)ccc(CCc3ccc(OCC4CO4)cc3)c2c1.
What is the InChIKey of 2-[[4-[2-[4-(oxiran-2-ylmethoxy)naphthalen-1-yl]ethyl]phenoxy]methyl]oxirane?
The InChIKey is SAOAJXGBZCSBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O4/c1-2-4-23-22(3-1)18(9-12-24(23)28-16-21-15-27-21)8-5-17-6-10-19(11-7-17)25-13-20-14-26-20/h1-4,6-7,9-12,20-21H,5,8,13-16H2.
What are the key properties of 2-[[4-[2-[4-(oxiran-2-ylmethoxy)naphthalen-1-yl]ethyl]phenoxy]methyl]oxirane?
2-[[4-[2-[4-(oxiran-2-ylmethoxy)naphthalen-1-yl]ethyl]phenoxy]methyl]oxirane has a molecular weight of 376.45 g/mol, XLogP of 4.18, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-[4-(oxiran-2-ylmethoxy)naphthalen-1-yl]ethyl]phenoxy]methyl]oxirane is sourced from PubChem (CID 174999091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).