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

C36H32O6 — CID 19089002

IUPAC2-[[4-[bis[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]phenoxy]methyl]oxirane
SMILESc1ccc2c(C(c3ccc(OCC4CO4)cc3)c3c(OCC4CO4)ccc4ccccc34)c(OCC3CO3)ccc2c1
InChIInChI=1S/C36H32O6/c1-3-7-30-23(5-1)11-15-32(41-21-28-19-39-28)35(30)34(25-9-13-26(14-10-25)37-17-27-18-38-27)36-31-8-4-2-6-24(31)12-16-33(36)42-22-29-20-40-29/h1-16,27-29,34H,17-22H2
InChIKeySAGGJLZEHUVWET-UHFFFAOYSA-N
MW560.65 g/mol
LogP6.51
Rot. Bonds12

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

2-[[4-[bis[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]phenoxy]methyl]oxirane (PubChem CID 19089002) has the molecular formula C36H32O6 and a molecular weight of 560.65 g/mol. Its IUPAC name is 2-[[4-[bis[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]phenoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[4-[bis[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]phenoxy]methyl]oxirane
PubChem CID19089002
Molecular FormulaC36H32O6
Molecular Weight560.65 g/mol
Exact Mass560.22
IUPAC Name2-[[4-[bis[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]phenoxy]methyl]oxirane
SMILESc1ccc2c(C(c3ccc(OCC4CO4)cc3)c3c(OCC4CO4)ccc4ccccc34)c(OCC3CO3)ccc2c1
InChIInChI=1S/C36H32O6/c1-3-7-30-23(5-1)11-15-32(41-21-28-19-39-28)35(30)34(25-9-13-26(14-10-25)37-17-27-18-38-27)36-31-8-4-2-6-24(31)12-16-33(36)42-22-29-20-40-29/h1-16,27-29,34H,17-22H2
InChIKeySAGGJLZEHUVWET-UHFFFAOYSA-N
XLogP6.51
TPSA65.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.65
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[1-[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]oxirane
CID 86159181
2-[[4-[1-[4-(oxiran-2-ylmethoxy)naphthalen-1-yl]ethyl]phenoxy]methyl]oxirane
CID 151987965
(2S)-2-(naphthalen-2-yloxymethyl)oxirane
CID 726163
(2S)-2-[[3-[[(2R)-oxiran-2-yl]methoxy]naphthalen-1-yl]oxymethyl]oxirane
CID 89326132
(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
2-[[1-[2-[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]propan-2-yl]naphthalen-2-yl]oxymethyl]oxirane
CID 156790199
2-[[4-[2-[4-(oxiran-2-ylmethoxy)naphthalen-1-yl]ethyl]phenoxy]methyl]oxirane
CID 174999091
2-[[4-[bis[5-tert-butyl-2-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane
CID 54048313
2-[[4-(dibromomethyl)phenoxy]methyl]oxirane
CID 87292739
2-[[4-(1-methoxyethyl)phenoxy]methyl]oxirane
CID 22359743
(2R)-2-[[5-[[(2R)-oxiran-2-yl]methoxy]naphthalen-2-yl]oxymethyl]oxirane
CID 681871
2-[4-[bis[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]oxetane
CID 130316322

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[bis[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]phenoxy]methyl]oxirane?
The IUPAC name of 2-[[4-[bis[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]phenoxy]methyl]oxirane (CID 19089002) is 2-[[4-[bis[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]phenoxy]methyl]oxirane.
What is the SMILES notation for 2-[[4-[bis[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]phenoxy]methyl]oxirane?
The canonical SMILES for 2-[[4-[bis[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]phenoxy]methyl]oxirane is c1ccc2c(C(c3ccc(OCC4CO4)cc3)c3c(OCC4CO4)ccc4ccccc34)c(OCC3CO3)ccc2c1.
What is the InChIKey of 2-[[4-[bis[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]phenoxy]methyl]oxirane?
The InChIKey is SAGGJLZEHUVWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32O6/c1-3-7-30-23(5-1)11-15-32(41-21-28-19-39-28)35(30)34(25-9-13-26(14-10-25)37-17-27-18-38-27)36-31-8-4-2-6-24(31)12-16-33(36)42-22-29-20-40-29/h1-16,27-29,34H,17-22H2.
What are the key properties of 2-[[4-[bis[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]phenoxy]methyl]oxirane?
2-[[4-[bis[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]phenoxy]methyl]oxirane has a molecular weight of 560.65 g/mol, XLogP of 6.51, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[bis[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]phenoxy]methyl]oxirane is sourced from PubChem (CID 19089002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).