dimethyl-[4-(2-phenoxyethoxy)phenyl]borane

C16H19BO2 — CID 58429994

IUPACdimethyl-[4-(2-phenoxyethoxy)phenyl]borane
SMILESCB(C)c1ccc(OCCOc2ccccc2)cc1
InChIInChI=1S/C16H19BO2/c1-17(2)14-8-10-16(11-9-14)19-13-12-18-15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3
InChIKeyMKCPVIZXCZXJLL-UHFFFAOYSA-N
MW254.14 g/mol
LogP3.11
Rot. Bonds6

About dimethyl-[4-(2-phenoxyethoxy)phenyl]borane

dimethyl-[4-(2-phenoxyethoxy)phenyl]borane (PubChem CID 58429994) has the molecular formula C16H19BO2 and a molecular weight of 254.14 g/mol. Its IUPAC name is dimethyl-[4-(2-phenoxyethoxy)phenyl]borane.

Molecular Properties

Compound Namedimethyl-[4-(2-phenoxyethoxy)phenyl]borane
PubChem CID58429994
Molecular FormulaC16H19BO2
Molecular Weight254.14 g/mol
Exact Mass254.15
IUPAC Namedimethyl-[4-(2-phenoxyethoxy)phenyl]borane
SMILESCB(C)c1ccc(OCCOc2ccccc2)cc1
InChIInChI=1S/C16H19BO2/c1-17(2)14-8-10-16(11-9-14)19-13-12-18-15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3
InChIKeyMKCPVIZXCZXJLL-UHFFFAOYSA-N
XLogP3.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.14
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(4-phenylbutoxy)phenyl]borane;methane
CID 158958715
2-(4-dimethylboranylphenoxy)ethanol
CID 58852404
2-phenoxyethylmercury
CID 163598363
1-(3-chloropropoxy)-4-(2-phenoxyethoxy)benzene
CID 19980783
N-(2-phenoxyethoxy)methanamine
CID 117126931
dimethyl-[3-(2-phenylethoxy)phenyl]borane;methane
CID 158698082
CID 58544227
CID 58544227
azane;propoxybenzene
CID 66667480
CID 161224902
CID 161224902
2-phenoxyethyl hypobromite
CID 139931807
N-methyl-3-phenoxypropan-1-amine
CID 22067856
1-[4-(2-phenoxyethoxy)phenyl]ethanol
CID 54794924

Frequently Asked Questions

What is the IUPAC name of dimethyl-[4-(2-phenoxyethoxy)phenyl]borane?
The IUPAC name of dimethyl-[4-(2-phenoxyethoxy)phenyl]borane (CID 58429994) is dimethyl-[4-(2-phenoxyethoxy)phenyl]borane.
What is the SMILES notation for dimethyl-[4-(2-phenoxyethoxy)phenyl]borane?
The canonical SMILES for dimethyl-[4-(2-phenoxyethoxy)phenyl]borane is CB(C)c1ccc(OCCOc2ccccc2)cc1.
What is the InChIKey of dimethyl-[4-(2-phenoxyethoxy)phenyl]borane?
The InChIKey is MKCPVIZXCZXJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BO2/c1-17(2)14-8-10-16(11-9-14)19-13-12-18-15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3.
What are the key properties of dimethyl-[4-(2-phenoxyethoxy)phenyl]borane?
dimethyl-[4-(2-phenoxyethoxy)phenyl]borane has a molecular weight of 254.14 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[4-(2-phenoxyethoxy)phenyl]borane is sourced from PubChem (CID 58429994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).