1-[dimethoxy(phenyl)methyl]-2-ethylnaphthalene

C21H22O2 — CID 126609569

IUPAC1-[dimethoxy(phenyl)methyl]-2-ethylnaphthalene
SMILESCCc1ccc2ccccc2c1C(OC)(OC)c1ccccc1
InChIInChI=1S/C21H22O2/c1-4-16-14-15-17-10-8-9-13-19(17)20(16)21(22-2,23-3)18-11-6-5-7-12-18/h5-15H,4H2,1-3H3
InChIKeySJUHPIORNOLRGA-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.90
Rot. Bonds5

About 1-[dimethoxy(phenyl)methyl]-2-ethylnaphthalene

1-[dimethoxy(phenyl)methyl]-2-ethylnaphthalene (PubChem CID 126609569) has the molecular formula C21H22O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[dimethoxy(phenyl)methyl]-2-ethylnaphthalene.

Molecular Properties

Compound Name1-[dimethoxy(phenyl)methyl]-2-ethylnaphthalene
PubChem CID126609569
Molecular FormulaC21H22O2
Molecular Weight306.41 g/mol
Exact Mass306.16
IUPAC Name1-[dimethoxy(phenyl)methyl]-2-ethylnaphthalene
SMILESCCc1ccc2ccccc2c1C(OC)(OC)c1ccccc1
InChIInChI=1S/C21H22O2/c1-4-16-14-15-17-10-8-9-13-19(17)20(16)21(22-2,23-3)18-11-6-5-7-12-18/h5-15H,4H2,1-3H3
InChIKeySJUHPIORNOLRGA-UHFFFAOYSA-N
XLogP4.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[dimethoxy(phenyl)methyl]-2-ethylnaphthalene?
The IUPAC name of 1-[dimethoxy(phenyl)methyl]-2-ethylnaphthalene (CID 126609569) is 1-[dimethoxy(phenyl)methyl]-2-ethylnaphthalene.
What is the SMILES notation for 1-[dimethoxy(phenyl)methyl]-2-ethylnaphthalene?
The canonical SMILES for 1-[dimethoxy(phenyl)methyl]-2-ethylnaphthalene is CCc1ccc2ccccc2c1C(OC)(OC)c1ccccc1.
What is the InChIKey of 1-[dimethoxy(phenyl)methyl]-2-ethylnaphthalene?
The InChIKey is SJUHPIORNOLRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O2/c1-4-16-14-15-17-10-8-9-13-19(17)20(16)21(22-2,23-3)18-11-6-5-7-12-18/h5-15H,4H2,1-3H3.
What are the key properties of 1-[dimethoxy(phenyl)methyl]-2-ethylnaphthalene?
1-[dimethoxy(phenyl)methyl]-2-ethylnaphthalene has a molecular weight of 306.41 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[dimethoxy(phenyl)methyl]-2-ethylnaphthalene is sourced from PubChem (CID 126609569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).