2-(3-ethyl-2-methylphenyl)-6-methoxynaphthalene

C20H20O — CID 57259225

IUPAC2-(3-ethyl-2-methylphenyl)-6-methoxynaphthalene
SMILESCCc1cccc(-c2ccc3cc(OC)ccc3c2)c1C
InChIInChI=1S/C20H20O/c1-4-15-6-5-7-20(14(15)2)18-9-8-17-13-19(21-3)11-10-16(17)12-18/h5-13H,4H2,1-3H3
InChIKeyZPAZLPHUTMFUPO-UHFFFAOYSA-N
MW276.38 g/mol
LogP5.39
Rot. Bonds3

About 2-(3-ethyl-2-methylphenyl)-6-methoxynaphthalene

2-(3-ethyl-2-methylphenyl)-6-methoxynaphthalene (PubChem CID 57259225) has the molecular formula C20H20O and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-(3-ethyl-2-methylphenyl)-6-methoxynaphthalene.

Molecular Properties

Compound Name2-(3-ethyl-2-methylphenyl)-6-methoxynaphthalene
PubChem CID57259225
Molecular FormulaC20H20O
Molecular Weight276.38 g/mol
Exact Mass276.15
IUPAC Name2-(3-ethyl-2-methylphenyl)-6-methoxynaphthalene
SMILESCCc1cccc(-c2ccc3cc(OC)ccc3c2)c1C
InChIInChI=1S/C20H20O/c1-4-15-6-5-7-20(14(15)2)18-9-8-17-13-19(21-3)11-10-16(17)12-18/h5-13H,4H2,1-3H3
InChIKeyZPAZLPHUTMFUPO-UHFFFAOYSA-N
XLogP5.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.38
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2-methylphenyl)-6-methoxynaphthalene?
The IUPAC name of 2-(3-ethyl-2-methylphenyl)-6-methoxynaphthalene (CID 57259225) is 2-(3-ethyl-2-methylphenyl)-6-methoxynaphthalene.
What is the SMILES notation for 2-(3-ethyl-2-methylphenyl)-6-methoxynaphthalene?
The canonical SMILES for 2-(3-ethyl-2-methylphenyl)-6-methoxynaphthalene is CCc1cccc(-c2ccc3cc(OC)ccc3c2)c1C.
What is the InChIKey of 2-(3-ethyl-2-methylphenyl)-6-methoxynaphthalene?
The InChIKey is ZPAZLPHUTMFUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O/c1-4-15-6-5-7-20(14(15)2)18-9-8-17-13-19(21-3)11-10-16(17)12-18/h5-13H,4H2,1-3H3.
What are the key properties of 2-(3-ethyl-2-methylphenyl)-6-methoxynaphthalene?
2-(3-ethyl-2-methylphenyl)-6-methoxynaphthalene has a molecular weight of 276.38 g/mol, XLogP of 5.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2-methylphenyl)-6-methoxynaphthalene is sourced from PubChem (CID 57259225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).