2-(ethoxymethyl)-1-(trimethoxymethyl)naphthalene

C17H22O4 — CID 142285788

IUPAC2-(ethoxymethyl)-1-(trimethoxymethyl)naphthalene
SMILESCCOCc1ccc2ccccc2c1C(OC)(OC)OC
InChIInChI=1S/C17H22O4/c1-5-21-12-14-11-10-13-8-6-7-9-15(13)16(14)17(18-2,19-3)20-4/h6-11H,5,12H2,1-4H3
InChIKeyLGNPLMNWBPNDNX-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.43
Rot. Bonds7

About 2-(ethoxymethyl)-1-(trimethoxymethyl)naphthalene

2-(ethoxymethyl)-1-(trimethoxymethyl)naphthalene (PubChem CID 142285788) has the molecular formula C17H22O4 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-(ethoxymethyl)-1-(trimethoxymethyl)naphthalene.

Molecular Properties

Compound Name2-(ethoxymethyl)-1-(trimethoxymethyl)naphthalene
PubChem CID142285788
Molecular FormulaC17H22O4
Molecular Weight290.36 g/mol
Exact Mass290.15
IUPAC Name2-(ethoxymethyl)-1-(trimethoxymethyl)naphthalene
SMILESCCOCc1ccc2ccccc2c1C(OC)(OC)OC
InChIInChI=1S/C17H22O4/c1-5-21-12-14-11-10-13-8-6-7-9-15(13)16(14)17(18-2,19-3)20-4/h6-11H,5,12H2,1-4H3
InChIKeyLGNPLMNWBPNDNX-UHFFFAOYSA-N
XLogP3.43
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethoxyethane;phenanthrene
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1-[dimethoxy(phenyl)methyl]-2-ethylnaphthalene
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1-(2-methoxypropan-2-yloxymethyl)naphthalene
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2-(ethoxymethyl)naphthalene
CID 11063138
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CID 69106852
CID 69106852
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1-methoxy-2-propylnaphthalene
CID 19091368
3-(ethoxymethyl)-5-methoxy-4-(trifluoromethyl)benzo[h][1,6]naphthyridine
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Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-1-(trimethoxymethyl)naphthalene?
The IUPAC name of 2-(ethoxymethyl)-1-(trimethoxymethyl)naphthalene (CID 142285788) is 2-(ethoxymethyl)-1-(trimethoxymethyl)naphthalene.
What is the SMILES notation for 2-(ethoxymethyl)-1-(trimethoxymethyl)naphthalene?
The canonical SMILES for 2-(ethoxymethyl)-1-(trimethoxymethyl)naphthalene is CCOCc1ccc2ccccc2c1C(OC)(OC)OC.
What is the InChIKey of 2-(ethoxymethyl)-1-(trimethoxymethyl)naphthalene?
The InChIKey is LGNPLMNWBPNDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O4/c1-5-21-12-14-11-10-13-8-6-7-9-15(13)16(14)17(18-2,19-3)20-4/h6-11H,5,12H2,1-4H3.
What are the key properties of 2-(ethoxymethyl)-1-(trimethoxymethyl)naphthalene?
2-(ethoxymethyl)-1-(trimethoxymethyl)naphthalene has a molecular weight of 290.36 g/mol, XLogP of 3.43, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-1-(trimethoxymethyl)naphthalene is sourced from PubChem (CID 142285788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).