2-(1-methoxyethoxymethyl)-1-[2-(1-methoxyethoxymethyl)naphthalen-1-yl]oxynaphthalene

C28H30O5 — CID 70563728

IUPAC2-(1-methoxyethoxymethyl)-1-[2-(1-methoxyethoxymethyl)naphthalen-1-yl]oxynaphthalene
SMILESCOC(C)OCc1ccc2ccccc2c1Oc1c(COC(C)OC)ccc2ccccc12
InChIInChI=1S/C28H30O5/c1-19(29-3)31-17-23-15-13-21-9-5-7-11-25(21)27(23)33-28-24(18-32-20(2)30-4)16-14-22-10-6-8-12-26(22)28/h5-16,19-20H,17-18H2,1-4H3
InChIKeyBGDDXWYRRCZBGG-UHFFFAOYSA-N
MW446.54 g/mol
LogP6.80
Rot. Bonds10

About 2-(1-methoxyethoxymethyl)-1-[2-(1-methoxyethoxymethyl)naphthalen-1-yl]oxynaphthalene

2-(1-methoxyethoxymethyl)-1-[2-(1-methoxyethoxymethyl)naphthalen-1-yl]oxynaphthalene (PubChem CID 70563728) has the molecular formula C28H30O5 and a molecular weight of 446.54 g/mol. Its IUPAC name is 2-(1-methoxyethoxymethyl)-1-[2-(1-methoxyethoxymethyl)naphthalen-1-yl]oxynaphthalene.

Molecular Properties

Compound Name2-(1-methoxyethoxymethyl)-1-[2-(1-methoxyethoxymethyl)naphthalen-1-yl]oxynaphthalene
PubChem CID70563728
Molecular FormulaC28H30O5
Molecular Weight446.54 g/mol
Exact Mass446.21
IUPAC Name2-(1-methoxyethoxymethyl)-1-[2-(1-methoxyethoxymethyl)naphthalen-1-yl]oxynaphthalene
SMILESCOC(C)OCc1ccc2ccccc2c1Oc1c(COC(C)OC)ccc2ccccc12
InChIInChI=1S/C28H30O5/c1-19(29-3)31-17-23-15-13-21-9-5-7-11-25(21)27(23)33-28-24(18-32-20(2)30-4)16-14-22-10-6-8-12-26(22)28/h5-16,19-20H,17-18H2,1-4H3
InChIKeyBGDDXWYRRCZBGG-UHFFFAOYSA-N
XLogP6.80
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.54
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-1-(2-ethylnaphthalen-1-yl)oxynaphthalene
CID 23191166
2-methoxy-1-(2-methoxynaphthalen-1-yl)oxynaphthalene
CID 168858344
1-(pentan-2-yloxymethyl)naphthalene
CID 174371768
(2S)-2-(naphthalen-1-ylmethoxy)propanoic acid
CID 104876043
1-(hexan-2-yloxymethyl)naphthalene
CID 126552542
2-(1-ethoxyethoxymethyl)-1,5-bis(methoxymethoxy)anthracene
CID 11153821
1-methoxy-2-propylnaphthalene
CID 19091368
2-(1-ethoxyethoxymethyl)-1,8-bis(methoxymethoxy)anthracene
CID 11304133
methyl 2-(2-methylpropyl)naphthalene-1-carboxylate
CID 141020633
2-benzyl-1-methoxynaphthalene
CID 15617899
1-methoxy-4-[[4-methoxy-3-[(1-methoxynaphthalen-2-yl)methyl]naphthalen-1-yl]methyl]-2-[(1-methoxynaphthalen-2-yl)methyl]naphthalene
CID 15852631
1-[(2-propan-2-ylphenoxy)methyl]naphthalene
CID 60627391

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxyethoxymethyl)-1-[2-(1-methoxyethoxymethyl)naphthalen-1-yl]oxynaphthalene?
The IUPAC name of 2-(1-methoxyethoxymethyl)-1-[2-(1-methoxyethoxymethyl)naphthalen-1-yl]oxynaphthalene (CID 70563728) is 2-(1-methoxyethoxymethyl)-1-[2-(1-methoxyethoxymethyl)naphthalen-1-yl]oxynaphthalene.
What is the SMILES notation for 2-(1-methoxyethoxymethyl)-1-[2-(1-methoxyethoxymethyl)naphthalen-1-yl]oxynaphthalene?
The canonical SMILES for 2-(1-methoxyethoxymethyl)-1-[2-(1-methoxyethoxymethyl)naphthalen-1-yl]oxynaphthalene is COC(C)OCc1ccc2ccccc2c1Oc1c(COC(C)OC)ccc2ccccc12.
What is the InChIKey of 2-(1-methoxyethoxymethyl)-1-[2-(1-methoxyethoxymethyl)naphthalen-1-yl]oxynaphthalene?
The InChIKey is BGDDXWYRRCZBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30O5/c1-19(29-3)31-17-23-15-13-21-9-5-7-11-25(21)27(23)33-28-24(18-32-20(2)30-4)16-14-22-10-6-8-12-26(22)28/h5-16,19-20H,17-18H2,1-4H3.
What are the key properties of 2-(1-methoxyethoxymethyl)-1-[2-(1-methoxyethoxymethyl)naphthalen-1-yl]oxynaphthalene?
2-(1-methoxyethoxymethyl)-1-[2-(1-methoxyethoxymethyl)naphthalen-1-yl]oxynaphthalene has a molecular weight of 446.54 g/mol, XLogP of 6.80, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxyethoxymethyl)-1-[2-(1-methoxyethoxymethyl)naphthalen-1-yl]oxynaphthalene is sourced from PubChem (CID 70563728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).