1-butan-2-yl-4-[1-[2-(4-methoxyphenyl)ethoxy]ethoxy]benzene

C21H28O3 — CID 58079015

IUPAC1-butan-2-yl-4-[1-[2-(4-methoxyphenyl)ethoxy]ethoxy]benzene
SMILESCCC(C)c1ccc(OC(C)OCCc2ccc(OC)cc2)cc1
InChIInChI=1S/C21H28O3/c1-5-16(2)19-8-12-21(13-9-19)24-17(3)23-15-14-18-6-10-20(22-4)11-7-18/h6-13,16-17H,5,14-15H2,1-4H3
InChIKeyIQUQHYBTVHKQEF-UHFFFAOYSA-N
MW328.45 g/mol
LogP5.19
Rot. Bonds9

About 1-butan-2-yl-4-[1-[2-(4-methoxyphenyl)ethoxy]ethoxy]benzene

1-butan-2-yl-4-[1-[2-(4-methoxyphenyl)ethoxy]ethoxy]benzene (PubChem CID 58079015) has the molecular formula C21H28O3 and a molecular weight of 328.45 g/mol. Its IUPAC name is 1-butan-2-yl-4-[1-[2-(4-methoxyphenyl)ethoxy]ethoxy]benzene.

Molecular Properties

Compound Name1-butan-2-yl-4-[1-[2-(4-methoxyphenyl)ethoxy]ethoxy]benzene
PubChem CID58079015
Molecular FormulaC21H28O3
Molecular Weight328.45 g/mol
Exact Mass328.20
IUPAC Name1-butan-2-yl-4-[1-[2-(4-methoxyphenyl)ethoxy]ethoxy]benzene
SMILESCCC(C)c1ccc(OC(C)OCCc2ccc(OC)cc2)cc1
InChIInChI=1S/C21H28O3/c1-5-16(2)19-8-12-21(13-9-19)24-17(3)23-15-14-18-6-10-20(22-4)11-7-18/h6-13,16-17H,5,14-15H2,1-4H3
InChIKeyIQUQHYBTVHKQEF-UHFFFAOYSA-N
XLogP5.19
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.45
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-butan-2-yl-4-[1-[2-(4-pentan-3-ylphenyl)ethoxy]ethoxy]benzene
CID 145055463
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
1-butan-2-yl-4-[1-(4-phenylbutoxy)ethoxy]benzene
CID 21363315
1-butan-2-yl-4-[1-[2-(4-methylphenoxy)ethoxy]ethoxy]benzene
CID 90919923
5-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethoxy]-1,2,3-trimethoxybenzene
CID 20722011
1-butan-2-yl-4-[1-(2-pentadecoxyethoxy)ethoxy]benzene
CID 58037077
1-[(2R)-butan-2-yl]-4-[2-[2-(4-methoxyphenoxy)ethoxy]ethoxy]benzene
CID 2282958
2-[1-(4-ethylphenoxy)ethoxy]ethyl 4-methoxybenzoate
CID 140648608
methyl N-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethyl]carbamate
CID 123881424
1-methoxy-4-[2-[1-[4-(3-methylbutan-2-yl)phenoxy]ethoxy]ethoxy]benzene
CID 91223040
(4-butan-2-ylphenyl)-(4-methoxyphenyl)methanamine
CID 43198098

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-[1-[2-(4-methoxyphenyl)ethoxy]ethoxy]benzene?
The IUPAC name of 1-butan-2-yl-4-[1-[2-(4-methoxyphenyl)ethoxy]ethoxy]benzene (CID 58079015) is 1-butan-2-yl-4-[1-[2-(4-methoxyphenyl)ethoxy]ethoxy]benzene.
What is the SMILES notation for 1-butan-2-yl-4-[1-[2-(4-methoxyphenyl)ethoxy]ethoxy]benzene?
The canonical SMILES for 1-butan-2-yl-4-[1-[2-(4-methoxyphenyl)ethoxy]ethoxy]benzene is CCC(C)c1ccc(OC(C)OCCc2ccc(OC)cc2)cc1.
What is the InChIKey of 1-butan-2-yl-4-[1-[2-(4-methoxyphenyl)ethoxy]ethoxy]benzene?
The InChIKey is IQUQHYBTVHKQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O3/c1-5-16(2)19-8-12-21(13-9-19)24-17(3)23-15-14-18-6-10-20(22-4)11-7-18/h6-13,16-17H,5,14-15H2,1-4H3.
What are the key properties of 1-butan-2-yl-4-[1-[2-(4-methoxyphenyl)ethoxy]ethoxy]benzene?
1-butan-2-yl-4-[1-[2-(4-methoxyphenyl)ethoxy]ethoxy]benzene has a molecular weight of 328.45 g/mol, XLogP of 5.19, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-[1-[2-(4-methoxyphenyl)ethoxy]ethoxy]benzene is sourced from PubChem (CID 58079015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).