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

C28H40O2 — CID 89343379

IUPAC1-butan-2-yl-4-[1-[2-(4-cyclohexylphenyl)ethoxy]-2-methylpropoxy]benzene
SMILESCCC(C)c1ccc(OC(OCCc2ccc(C3CCCCC3)cc2)C(C)C)cc1
InChIInChI=1S/C28H40O2/c1-5-22(4)24-15-17-27(18-16-24)30-28(21(2)3)29-20-19-23-11-13-26(14-12-23)25-9-7-6-8-10-25/h11-18,21-22,25,28H,5-10,19-20H2,1-4H3
InChIKeyAQUGIJTZRAIWGR-UHFFFAOYSA-N
MW408.63 g/mol
LogP7.87
Rot. Bonds10

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

1-butan-2-yl-4-[1-[2-(4-cyclohexylphenyl)ethoxy]-2-methylpropoxy]benzene (PubChem CID 89343379) has the molecular formula C28H40O2 and a molecular weight of 408.63 g/mol. Its IUPAC name is 1-butan-2-yl-4-[1-[2-(4-cyclohexylphenyl)ethoxy]-2-methylpropoxy]benzene.

Molecular Properties

Compound Name1-butan-2-yl-4-[1-[2-(4-cyclohexylphenyl)ethoxy]-2-methylpropoxy]benzene
PubChem CID89343379
Molecular FormulaC28H40O2
Molecular Weight408.63 g/mol
Exact Mass408.30
IUPAC Name1-butan-2-yl-4-[1-[2-(4-cyclohexylphenyl)ethoxy]-2-methylpropoxy]benzene
SMILESCCC(C)c1ccc(OC(OCCc2ccc(C3CCCCC3)cc2)C(C)C)cc1
InChIInChI=1S/C28H40O2/c1-5-22(4)24-15-17-27(18-16-24)30-28(21(2)3)29-20-19-23-11-13-26(14-12-23)25-9-7-6-8-10-25/h11-18,21-22,25,28H,5-10,19-20H2,1-4H3
InChIKeyAQUGIJTZRAIWGR-UHFFFAOYSA-N
XLogP7.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.63
LogP ≤ 57.87
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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Related Compounds

1-butan-2-yl-4-[1-(2-cyclohexylethoxy)-2-methylpropoxy]benzene;1-butan-2-yl-4-(1-cyclohexyloxy-2-methylpropoxy)benzene;1-butan-2-yl-4-[1-[2-(4-cyclohexylphenyl)ethoxy]-2-methylpropoxy]benzene;1-butan-2-yl-4-(1-ethoxy-2-methylpropoxy)benzene;1-butan-2-yl-4-(1-methoxy-2-methylpropoxy)benzene;1-butan-2-yl-4-(2-methylbutan-2-yloxy)benzene;tert-butyl 2-(4-butan-2-ylphenoxy)-3-methylbutanoate
CID 159083313
1-butan-2-yl-4-(2-methyl-1-propoxypropoxy)benzene
CID 58900963
1-butan-2-yl-4-[1-[3-(3-cyclohexylphenyl)propoxy]ethoxy]benzene
CID 88993256
1-butan-2-yl-4-[1-[2-(4-methoxyphenyl)ethoxy]ethoxy]benzene
CID 58079015
1-butan-2-yl-4-[1-[2-(4-pentan-3-ylphenyl)ethoxy]ethoxy]benzene
CID 145055463
1-[(2R)-butan-2-yl]-4-[1-(2-cyclohexylethoxy)ethoxy]benzene
CID 89233855
1-cyclohexyl-4-[2-[1-[4-(2,2,5-trimethylhexan-3-yl)phenoxy]ethoxy]ethoxy]benzene
CID 90780259
1-butan-2-yl-4-(2-cyclohexylethoxymethoxy)benzene;1-butan-2-yl-4-(cyclohexyloxymethoxy)benzene;1-butan-2-yl-4-[2-(4-cyclohexylphenyl)ethoxymethoxy]benzene;1-butan-2-yl-4-(methoxymethoxy)benzene;2-[(4-butan-2-ylphenoxy)methoxy]adamantane
CID 161125501
1-butan-2-yl-4-(1-methoxy-2-methylpropoxy)benzene;methane
CID 162050346
1-[1-(2-cyclohexylethoxy)-2-methylpropoxy]-4-(5-methylhexan-3-yl)benzene
CID 144963476
1-cyclohexyl-4-[1-[4-(2-iodo-2,5-dimethylhexan-3-yl)phenoxy]ethoxymethyl]benzene
CID 129173092
1-butan-2-yl-4-(3,3-dimethylbutan-2-yloxy)benzene
CID 159159765

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-[1-[2-(4-cyclohexylphenyl)ethoxy]-2-methylpropoxy]benzene?
The IUPAC name of 1-butan-2-yl-4-[1-[2-(4-cyclohexylphenyl)ethoxy]-2-methylpropoxy]benzene (CID 89343379) is 1-butan-2-yl-4-[1-[2-(4-cyclohexylphenyl)ethoxy]-2-methylpropoxy]benzene.
What is the SMILES notation for 1-butan-2-yl-4-[1-[2-(4-cyclohexylphenyl)ethoxy]-2-methylpropoxy]benzene?
The canonical SMILES for 1-butan-2-yl-4-[1-[2-(4-cyclohexylphenyl)ethoxy]-2-methylpropoxy]benzene is CCC(C)c1ccc(OC(OCCc2ccc(C3CCCCC3)cc2)C(C)C)cc1.
What is the InChIKey of 1-butan-2-yl-4-[1-[2-(4-cyclohexylphenyl)ethoxy]-2-methylpropoxy]benzene?
The InChIKey is AQUGIJTZRAIWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40O2/c1-5-22(4)24-15-17-27(18-16-24)30-28(21(2)3)29-20-19-23-11-13-26(14-12-23)25-9-7-6-8-10-25/h11-18,21-22,25,28H,5-10,19-20H2,1-4H3.
What are the key properties of 1-butan-2-yl-4-[1-[2-(4-cyclohexylphenyl)ethoxy]-2-methylpropoxy]benzene?
1-butan-2-yl-4-[1-[2-(4-cyclohexylphenyl)ethoxy]-2-methylpropoxy]benzene has a molecular weight of 408.63 g/mol, XLogP of 7.87, 10 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-[1-[2-(4-cyclohexylphenyl)ethoxy]-2-methylpropoxy]benzene is sourced from PubChem (CID 89343379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).