[4-(3,4-dimethylphenoxy)phenyl]-dimethylborane

C16H19BO — CID 58429995

IUPAC[4-(3,4-dimethylphenoxy)phenyl]-dimethylborane
SMILESCB(C)c1ccc(Oc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C16H19BO/c1-12-5-8-16(11-13(12)2)18-15-9-6-14(7-10-15)17(3)4/h5-11H,1-4H3
InChIKeyWFDMMSXMRJZJCD-UHFFFAOYSA-N
MW238.14 g/mol
LogP4.06
Rot. Bonds3

About [4-(3,4-dimethylphenoxy)phenyl]-dimethylborane

[4-(3,4-dimethylphenoxy)phenyl]-dimethylborane (PubChem CID 58429995) has the molecular formula C16H19BO and a molecular weight of 238.14 g/mol. Its IUPAC name is [4-(3,4-dimethylphenoxy)phenyl]-dimethylborane.

Molecular Properties

Compound Name[4-(3,4-dimethylphenoxy)phenyl]-dimethylborane
PubChem CID58429995
Molecular FormulaC16H19BO
Molecular Weight238.14 g/mol
Exact Mass238.15
IUPAC Name[4-(3,4-dimethylphenoxy)phenyl]-dimethylborane
SMILESCB(C)c1ccc(Oc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C16H19BO/c1-12-5-8-16(11-13(12)2)18-15-9-6-14(7-10-15)17(3)4/h5-11H,1-4H3
InChIKeyWFDMMSXMRJZJCD-UHFFFAOYSA-N
XLogP4.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.14
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[4-(3-chloro-4-methylphenoxy)phenyl]-dimethylborane
CID 58430003
1,2-dimethyl-4-(4-methylphenoxy)benzene
CID 15324949
4-(4-bromophenoxy)-1,2-dimethylbenzene
CID 169336658
methane;[4-(4-methoxyphenoxy)phenyl]-dimethylborane
CID 160959342
4-(4-isocyanatophenoxy)-1,2-dimethylbenzene
CID 169353785
4-(3-chlorophenoxy)-1,2-dimethylbenzene
CID 70594513
1,2-dimethyl-4-[4-(1-phenylethenyl)phenoxy]benzene
CID 145094302
1,1-bis[4-(3,4-dimethylphenoxy)phenyl]-N'-methylmethanediamine
CID 167083420
1-[2-[4-(3,4-dimethylphenoxy)-2-methylphenyl]ethyl]-2,4,5-trimethylbenzene
CID 131997847
1-[2-[5-(3,4-dimethylphenoxy)-2-methylphenyl]ethyl]-2,4,5-trimethylbenzene
CID 131997714
bis(3,4-dimethylphenyl)methanone;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene
CID 159619159
4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;2,2,2-trifluoroacetic acid
CID 21195895

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dimethylphenoxy)phenyl]-dimethylborane?
The IUPAC name of [4-(3,4-dimethylphenoxy)phenyl]-dimethylborane (CID 58429995) is [4-(3,4-dimethylphenoxy)phenyl]-dimethylborane.
What is the SMILES notation for [4-(3,4-dimethylphenoxy)phenyl]-dimethylborane?
The canonical SMILES for [4-(3,4-dimethylphenoxy)phenyl]-dimethylborane is CB(C)c1ccc(Oc2ccc(C)c(C)c2)cc1.
What is the InChIKey of [4-(3,4-dimethylphenoxy)phenyl]-dimethylborane?
The InChIKey is WFDMMSXMRJZJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BO/c1-12-5-8-16(11-13(12)2)18-15-9-6-14(7-10-15)17(3)4/h5-11H,1-4H3.
What are the key properties of [4-(3,4-dimethylphenoxy)phenyl]-dimethylborane?
[4-(3,4-dimethylphenoxy)phenyl]-dimethylborane has a molecular weight of 238.14 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dimethylphenoxy)phenyl]-dimethylborane is sourced from PubChem (CID 58429995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).