dimethyl-[4-(4-phenylbutoxy)phenyl]borane;methane

C19H27BO — CID 158958715

IUPACdimethyl-[4-(4-phenylbutoxy)phenyl]borane;methane
SMILESC.CB(C)c1ccc(OCCCCc2ccccc2)cc1
InChIInChI=1S/C18H23BO.CH4/c1-19(2)17-11-13-18(14-12-17)20-15-7-6-10-16-8-4-3-5-9-16;/h3-5,8-9,11-14H,6-7,10,15H2,1-2H3;1H4
InChIKeyJMINYXKAIOCTFR-UHFFFAOYSA-N
MW282.24 g/mol
LogP4.69
Rot. Bonds7

About dimethyl-[4-(4-phenylbutoxy)phenyl]borane;methane

dimethyl-[4-(4-phenylbutoxy)phenyl]borane;methane (PubChem CID 158958715) has the molecular formula C19H27BO and a molecular weight of 282.24 g/mol. Its IUPAC name is dimethyl-[4-(4-phenylbutoxy)phenyl]borane;methane.

Molecular Properties

Compound Namedimethyl-[4-(4-phenylbutoxy)phenyl]borane;methane
PubChem CID158958715
Molecular FormulaC19H27BO
Molecular Weight282.24 g/mol
Exact Mass282.22
IUPAC Namedimethyl-[4-(4-phenylbutoxy)phenyl]borane;methane
SMILESC.CB(C)c1ccc(OCCCCc2ccccc2)cc1
InChIInChI=1S/C18H23BO.CH4/c1-19(2)17-11-13-18(14-12-17)20-15-7-6-10-16-8-4-3-5-9-16;/h3-5,8-9,11-14H,6-7,10,15H2,1-2H3;1H4
InChIKeyJMINYXKAIOCTFR-UHFFFAOYSA-N
XLogP4.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.24
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

dimethyl-[4-(2-phenoxyethoxy)phenyl]borane
CID 58429994
dimethyl-[3-(3-phenylpropoxy)phenyl]borane;methane
CID 159529866
1-ethyl-4-(4-phenylbutoxy)benzene
CID 71034747
1-hexyl-4-(6-phenylhexoxy)benzene
CID 91256527
1,4-bis(6-phenoxyhexyl)benzene
CID 86175301
2-[4-(5-phenylpentoxy)phenyl]ethanamine
CID 22929603
dimethyl-[3-(2-phenylethoxy)phenyl]borane;methane
CID 158698082
N-chloro-2-[4-(4-phenylbutoxy)phenyl]ethanamine
CID 89281693
1-methyl-4-(5-phenoxypentyl)benzene
CID 19755668
N-[4-(4-phenylbutoxy)phenyl]acetamide
CID 143188438
triphenyl-[[4-(4-phenylbutoxy)phenyl]methyl]phosphanium
CID 23124762
2-fluoro-1-methyl-4-(4-phenylbutoxy)benzene
CID 107171456

Frequently Asked Questions

What is the IUPAC name of dimethyl-[4-(4-phenylbutoxy)phenyl]borane;methane?
The IUPAC name of dimethyl-[4-(4-phenylbutoxy)phenyl]borane;methane (CID 158958715) is dimethyl-[4-(4-phenylbutoxy)phenyl]borane;methane.
What is the SMILES notation for dimethyl-[4-(4-phenylbutoxy)phenyl]borane;methane?
The canonical SMILES for dimethyl-[4-(4-phenylbutoxy)phenyl]borane;methane is C.CB(C)c1ccc(OCCCCc2ccccc2)cc1.
What is the InChIKey of dimethyl-[4-(4-phenylbutoxy)phenyl]borane;methane?
The InChIKey is JMINYXKAIOCTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BO.CH4/c1-19(2)17-11-13-18(14-12-17)20-15-7-6-10-16-8-4-3-5-9-16;/h3-5,8-9,11-14H,6-7,10,15H2,1-2H3;1H4.
What are the key properties of dimethyl-[4-(4-phenylbutoxy)phenyl]borane;methane?
dimethyl-[4-(4-phenylbutoxy)phenyl]borane;methane has a molecular weight of 282.24 g/mol, XLogP of 4.69, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[4-(4-phenylbutoxy)phenyl]borane;methane is sourced from PubChem (CID 158958715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).