1-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethoxy]-2-methylnaphthalene

C25H30O3 — CID 20722033

IUPAC1-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethoxy]-2-methylnaphthalene
SMILESCCC(C)c1ccc(OC(C)OCCOc2c(C)ccc3ccccc23)cc1
InChIInChI=1S/C25H30O3/c1-5-18(2)21-12-14-23(15-13-21)28-20(4)26-16-17-27-25-19(3)10-11-22-8-6-7-9-24(22)25/h6-15,18,20H,5,16-17H2,1-4H3
InChIKeyHQZLUIWCQZBAND-UHFFFAOYSA-N
MW378.51 g/mol
LogP6.48
Rot. Bonds9

About 1-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethoxy]-2-methylnaphthalene

1-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethoxy]-2-methylnaphthalene (PubChem CID 20722033) has the molecular formula C25H30O3 and a molecular weight of 378.51 g/mol. Its IUPAC name is 1-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethoxy]-2-methylnaphthalene.

Molecular Properties

Compound Name1-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethoxy]-2-methylnaphthalene
PubChem CID20722033
Molecular FormulaC25H30O3
Molecular Weight378.51 g/mol
Exact Mass378.22
IUPAC Name1-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethoxy]-2-methylnaphthalene
SMILESCCC(C)c1ccc(OC(C)OCCOc2c(C)ccc3ccccc23)cc1
InChIInChI=1S/C25H30O3/c1-5-18(2)21-12-14-23(15-13-21)28-20(4)26-16-17-27-25-19(3)10-11-22-8-6-7-9-24(22)25/h6-15,18,20H,5,16-17H2,1-4H3
InChIKeyHQZLUIWCQZBAND-UHFFFAOYSA-N
XLogP6.48
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.51
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethoxy]naphthalen-2-yl]methanol
CID 58030816
1-butan-2-yl-4-[1-[2-(4-methylphenoxy)ethoxy]ethoxy]benzene
CID 90919923
1-butan-2-yl-4-(1-butoxyethoxy)benzene
CID 18739256
1-butan-2-yl-4-[1-[7-[1-(4-butan-2-ylphenoxy)ethoxy]heptoxy]ethoxy]benzene
CID 59687778
5-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethoxy]-1,2,3-trimethoxybenzene
CID 20722011
1-butan-2-yl-4-[1-(4-phenylbutoxy)ethoxy]benzene
CID 21363315
1-butan-2-yl-4-[1-[2-(2-pentylphenoxy)ethoxy]ethoxy]benzene
CID 59950376
1-butan-2-yl-4-[1-[2-(4-methoxyphenyl)ethoxy]ethoxy]benzene
CID 58079015
1-butan-2-yl-4-[1-(2-pentadecoxyethoxy)ethoxy]benzene
CID 58037077
1-[(2R)-butan-2-yl]-4-[1-(2-cyclohexylethoxy)ethoxy]benzene
CID 89233855
1-butan-2-yl-4-(1-phenylethoxy)benzene
CID 58079027
1-butan-2-yl-4-[1-[2-(4-pentan-3-ylphenyl)ethoxy]ethoxy]benzene
CID 145055463

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethoxy]-2-methylnaphthalene?
The IUPAC name of 1-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethoxy]-2-methylnaphthalene (CID 20722033) is 1-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethoxy]-2-methylnaphthalene.
What is the SMILES notation for 1-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethoxy]-2-methylnaphthalene?
The canonical SMILES for 1-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethoxy]-2-methylnaphthalene is CCC(C)c1ccc(OC(C)OCCOc2c(C)ccc3ccccc23)cc1.
What is the InChIKey of 1-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethoxy]-2-methylnaphthalene?
The InChIKey is HQZLUIWCQZBAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30O3/c1-5-18(2)21-12-14-23(15-13-21)28-20(4)26-16-17-27-25-19(3)10-11-22-8-6-7-9-24(22)25/h6-15,18,20H,5,16-17H2,1-4H3.
What are the key properties of 1-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethoxy]-2-methylnaphthalene?
1-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethoxy]-2-methylnaphthalene has a molecular weight of 378.51 g/mol, XLogP of 6.48, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethoxy]-2-methylnaphthalene is sourced from PubChem (CID 20722033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).