1-butan-2-yl-4-[2-phenyl-1-(2-propan-2-ylphenyl)ethoxy]benzene

C27H32O — CID 173361622

IUPAC1-butan-2-yl-4-[2-phenyl-1-(2-propan-2-ylphenyl)ethoxy]benzene
SMILESCCC(C)c1ccc(OC(Cc2ccccc2)c2ccccc2C(C)C)cc1
InChIInChI=1S/C27H32O/c1-5-21(4)23-15-17-24(18-16-23)28-27(19-22-11-7-6-8-12-22)26-14-10-9-13-25(26)20(2)3/h6-18,20-21,27H,5,19H2,1-4H3
InChIKeyAXNSLUQTEJOHFY-UHFFFAOYSA-N
MW372.55 g/mol
LogP7.69
Rot. Bonds8

About 1-butan-2-yl-4-[2-phenyl-1-(2-propan-2-ylphenyl)ethoxy]benzene

1-butan-2-yl-4-[2-phenyl-1-(2-propan-2-ylphenyl)ethoxy]benzene (PubChem CID 173361622) has the molecular formula C27H32O and a molecular weight of 372.55 g/mol. Its IUPAC name is 1-butan-2-yl-4-[2-phenyl-1-(2-propan-2-ylphenyl)ethoxy]benzene.

Molecular Properties

Compound Name1-butan-2-yl-4-[2-phenyl-1-(2-propan-2-ylphenyl)ethoxy]benzene
PubChem CID173361622
Molecular FormulaC27H32O
Molecular Weight372.55 g/mol
Exact Mass372.25
IUPAC Name1-butan-2-yl-4-[2-phenyl-1-(2-propan-2-ylphenyl)ethoxy]benzene
SMILESCCC(C)c1ccc(OC(Cc2ccccc2)c2ccccc2C(C)C)cc1
InChIInChI=1S/C27H32O/c1-5-21(4)23-15-17-24(18-16-23)28-27(19-22-11-7-6-8-12-22)26-14-10-9-13-25(26)20(2)3/h6-18,20-21,27H,5,19H2,1-4H3
InChIKeyAXNSLUQTEJOHFY-UHFFFAOYSA-N
XLogP7.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.55
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-butan-2-yl-4-(1-phenylethoxy)benzene
CID 58079027
1,4-bis(1,2-diphenylethoxy)benzene
CID 67207918
1-butan-2-yl-4-propan-2-yloxybenzene
CID 18730967
1-butan-2-yl-4-(2-phenylethoxy)benzene
CID 90246528
1-butan-2-yl-4-(3-phenylpropoxy)benzene
CID 103601085
1-(4-butan-2-ylphenoxy)-1-phenylpropan-2-amine
CID 107663944
1-butan-2-yl-4-[1-(4-phenylbutoxy)ethoxy]benzene
CID 21363315
1-butan-2-yl-2-propan-2-ylbenzene;ethane
CID 143715642
1-butan-2-yl-4-(3,3-dimethylbutan-2-yloxy)benzene
CID 159159765
1-butan-2-yl-4-(phenoxymethyl)benzene
CID 59819141
2-(4-butan-2-ylphenoxy)propan-1-ol
CID 54018787
1-butan-2-yl-4-(1-butoxyethoxy)benzene
CID 18739256

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-[2-phenyl-1-(2-propan-2-ylphenyl)ethoxy]benzene?
The IUPAC name of 1-butan-2-yl-4-[2-phenyl-1-(2-propan-2-ylphenyl)ethoxy]benzene (CID 173361622) is 1-butan-2-yl-4-[2-phenyl-1-(2-propan-2-ylphenyl)ethoxy]benzene.
What is the SMILES notation for 1-butan-2-yl-4-[2-phenyl-1-(2-propan-2-ylphenyl)ethoxy]benzene?
The canonical SMILES for 1-butan-2-yl-4-[2-phenyl-1-(2-propan-2-ylphenyl)ethoxy]benzene is CCC(C)c1ccc(OC(Cc2ccccc2)c2ccccc2C(C)C)cc1.
What is the InChIKey of 1-butan-2-yl-4-[2-phenyl-1-(2-propan-2-ylphenyl)ethoxy]benzene?
The InChIKey is AXNSLUQTEJOHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32O/c1-5-21(4)23-15-17-24(18-16-23)28-27(19-22-11-7-6-8-12-22)26-14-10-9-13-25(26)20(2)3/h6-18,20-21,27H,5,19H2,1-4H3.
What are the key properties of 1-butan-2-yl-4-[2-phenyl-1-(2-propan-2-ylphenyl)ethoxy]benzene?
1-butan-2-yl-4-[2-phenyl-1-(2-propan-2-ylphenyl)ethoxy]benzene has a molecular weight of 372.55 g/mol, XLogP of 7.69, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-[2-phenyl-1-(2-propan-2-ylphenyl)ethoxy]benzene is sourced from PubChem (CID 173361622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).