1-butan-2-yl-4-(2-cyclopropyloxyethoxy)benzene

C15H22O2 — CID 166703301

IUPAC1-butan-2-yl-4-(2-cyclopropyloxyethoxy)benzene
SMILESCCC(C)c1ccc(OCCOC2CC2)cc1
InChIInChI=1S/C15H22O2/c1-3-12(2)13-4-6-14(7-5-13)16-10-11-17-15-8-9-15/h4-7,12,15H,3,8-11H2,1-2H3
InChIKeyCYKMUQMGJGTQPV-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.76
Rot. Bonds7

About 1-butan-2-yl-4-(2-cyclopropyloxyethoxy)benzene

1-butan-2-yl-4-(2-cyclopropyloxyethoxy)benzene (PubChem CID 166703301) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-butan-2-yl-4-(2-cyclopropyloxyethoxy)benzene.

Molecular Properties

Compound Name1-butan-2-yl-4-(2-cyclopropyloxyethoxy)benzene
PubChem CID166703301
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name1-butan-2-yl-4-(2-cyclopropyloxyethoxy)benzene
SMILESCCC(C)c1ccc(OCCOC2CC2)cc1
InChIInChI=1S/C15H22O2/c1-3-12(2)13-4-6-14(7-5-13)16-10-11-17-15-8-9-15/h4-7,12,15H,3,8-11H2,1-2H3
InChIKeyCYKMUQMGJGTQPV-UHFFFAOYSA-N
XLogP3.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-cyclopropyloxyethoxy)-4-methylbenzene
CID 153135187
2-[2-(4-butan-2-ylphenoxy)ethoxy]-1,3-bis(cyclohexyloxymethyl)-5-methylbenzene
CID 122415371
2-(4-butan-2-ylphenoxy)-N-(cyclopropylmethyl)ethanamine
CID 107668609
1-[(2R)-butan-2-yl]-4-[2-[2-(4-methoxyphenoxy)ethoxy]ethoxy]benzene
CID 2282958
2-(4-butan-2-ylphenoxy)-N-methylethanamine
CID 107664179
6-(4-butan-2-ylphenoxy)hexan-3-amine
CID 107664234
1-butan-2-yl-4-(3,3-dimethylbutoxy)benzene
CID 70947393
1-butan-2-yl-4-(cyclopropylmethoxymethoxy)benzene
CID 107669089
5-(4-butan-2-ylphenoxy)-N-ethylpentan-1-amine
CID 107668328
1-(4-butan-2-ylphenoxy)butan-2-amine
CID 107664163
1-butan-2-yl-4-(2-phenylethoxy)benzene
CID 90246528
1-butan-2-yl-4-[1-[2-(4-methylphenoxy)ethoxy]ethoxy]benzene
CID 90919923

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-(2-cyclopropyloxyethoxy)benzene?
The IUPAC name of 1-butan-2-yl-4-(2-cyclopropyloxyethoxy)benzene (CID 166703301) is 1-butan-2-yl-4-(2-cyclopropyloxyethoxy)benzene.
What is the SMILES notation for 1-butan-2-yl-4-(2-cyclopropyloxyethoxy)benzene?
The canonical SMILES for 1-butan-2-yl-4-(2-cyclopropyloxyethoxy)benzene is CCC(C)c1ccc(OCCOC2CC2)cc1.
What is the InChIKey of 1-butan-2-yl-4-(2-cyclopropyloxyethoxy)benzene?
The InChIKey is CYKMUQMGJGTQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-3-12(2)13-4-6-14(7-5-13)16-10-11-17-15-8-9-15/h4-7,12,15H,3,8-11H2,1-2H3.
What are the key properties of 1-butan-2-yl-4-(2-cyclopropyloxyethoxy)benzene?
1-butan-2-yl-4-(2-cyclopropyloxyethoxy)benzene has a molecular weight of 234.34 g/mol, XLogP of 3.76, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-(2-cyclopropyloxyethoxy)benzene is sourced from PubChem (CID 166703301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).