dimethyl-[4-(4-phenylbut-1-en-2-yl)phenyl]borane

C18H21B — CID 161217029

IUPACdimethyl-[4-(4-phenylbut-1-en-2-yl)phenyl]borane
SMILESC=C(CCc1ccccc1)c1ccc(B(C)C)cc1
InChIInChI=1S/C18H21B/c1-15(9-10-16-7-5-4-6-8-16)17-11-13-18(14-12-17)19(2)3/h4-8,11-14H,1,9-10H2,2-3H3
InChIKeyLEWKAFMJALLLRJ-UHFFFAOYSA-N
MW248.18 g/mol
LogP4.29
Rot. Bonds5

About dimethyl-[4-(4-phenylbut-1-en-2-yl)phenyl]borane

dimethyl-[4-(4-phenylbut-1-en-2-yl)phenyl]borane (PubChem CID 161217029) has the molecular formula C18H21B and a molecular weight of 248.18 g/mol. Its IUPAC name is dimethyl-[4-(4-phenylbut-1-en-2-yl)phenyl]borane.

Molecular Properties

Compound Namedimethyl-[4-(4-phenylbut-1-en-2-yl)phenyl]borane
PubChem CID161217029
Molecular FormulaC18H21B
Molecular Weight248.18 g/mol
Exact Mass248.17
IUPAC Namedimethyl-[4-(4-phenylbut-1-en-2-yl)phenyl]borane
SMILESC=C(CCc1ccccc1)c1ccc(B(C)C)cc1
InChIInChI=1S/C18H21B/c1-15(9-10-16-7-5-4-6-8-16)17-11-13-18(14-12-17)19(2)3/h4-8,11-14H,1,9-10H2,2-3H3
InChIKeyLEWKAFMJALLLRJ-UHFFFAOYSA-N
XLogP4.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.18
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(3-phenylbut-3-enyl)phenyl]ethenamine
CID 142065127
3-phenylbut-3-enylbenzene;(2-phenylcyclobutyl)benzene
CID 157174978
3-methyl-6-(4-phenylbut-1-en-2-yl)quinoline
CID 143057310
pent-1-en-2-ylbenzene
CID 521761
dimethyl-[4-(4-phenylbutoxy)phenyl]borane;methane
CID 158958715
(Z)-N-[(E)-1,3-diphenylpropylideneamino]-1,3-diphenylpropan-1-imine
CID 6370993
1-methyl-4-(3-phenylprop-1-en-2-yl)benzene
CID 134964621
ethane;N-methyl-4-phenylbut-1-en-2-amine
CID 143280576
1-hex-1-en-2-yl-4-propylbenzene
CID 22166244
[(E)-3-methylidenehex-4-enyl]benzene
CID 15074252
4-methylidene-6-phenylhexan-3-one
CID 13485260
2-amino-2-[2-[4-(8-phenyloct-1-en-2-yl)phenyl]ethyl]propane-1,3-diol
CID 89278572

Frequently Asked Questions

What is the IUPAC name of dimethyl-[4-(4-phenylbut-1-en-2-yl)phenyl]borane?
The IUPAC name of dimethyl-[4-(4-phenylbut-1-en-2-yl)phenyl]borane (CID 161217029) is dimethyl-[4-(4-phenylbut-1-en-2-yl)phenyl]borane.
What is the SMILES notation for dimethyl-[4-(4-phenylbut-1-en-2-yl)phenyl]borane?
The canonical SMILES for dimethyl-[4-(4-phenylbut-1-en-2-yl)phenyl]borane is C=C(CCc1ccccc1)c1ccc(B(C)C)cc1.
What is the InChIKey of dimethyl-[4-(4-phenylbut-1-en-2-yl)phenyl]borane?
The InChIKey is LEWKAFMJALLLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21B/c1-15(9-10-16-7-5-4-6-8-16)17-11-13-18(14-12-17)19(2)3/h4-8,11-14H,1,9-10H2,2-3H3.
What are the key properties of dimethyl-[4-(4-phenylbut-1-en-2-yl)phenyl]borane?
dimethyl-[4-(4-phenylbut-1-en-2-yl)phenyl]borane has a molecular weight of 248.18 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[4-(4-phenylbut-1-en-2-yl)phenyl]borane is sourced from PubChem (CID 161217029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).