dimethyl-[4-(3-pyridin-2-yloxypropoxy)phenyl]borane;methane

C17H24BNO2 — CID 158699011

IUPACdimethyl-[4-(3-pyridin-2-yloxypropoxy)phenyl]borane;methane
SMILESC.CB(C)c1ccc(OCCCOc2ccccn2)cc1
InChIInChI=1S/C16H20BNO2.CH4/c1-17(2)14-7-9-15(10-8-14)19-12-5-13-20-16-6-3-4-11-18-16;/h3-4,6-11H,5,12-13H2,1-2H3;1H4
InChIKeyIHHKOOFVICYNIK-UHFFFAOYSA-N
MW285.20 g/mol
LogP3.53
Rot. Bonds7

About dimethyl-[4-(3-pyridin-2-yloxypropoxy)phenyl]borane;methane

dimethyl-[4-(3-pyridin-2-yloxypropoxy)phenyl]borane;methane (PubChem CID 158699011) has the molecular formula C17H24BNO2 and a molecular weight of 285.20 g/mol. Its IUPAC name is dimethyl-[4-(3-pyridin-2-yloxypropoxy)phenyl]borane;methane.

Molecular Properties

Compound Namedimethyl-[4-(3-pyridin-2-yloxypropoxy)phenyl]borane;methane
PubChem CID158699011
Molecular FormulaC17H24BNO2
Molecular Weight285.20 g/mol
Exact Mass285.19
IUPAC Namedimethyl-[4-(3-pyridin-2-yloxypropoxy)phenyl]borane;methane
SMILESC.CB(C)c1ccc(OCCCOc2ccccn2)cc1
InChIInChI=1S/C16H20BNO2.CH4/c1-17(2)14-7-9-15(10-8-14)19-12-5-13-20-16-6-3-4-11-18-16;/h3-4,6-11H,5,12-13H2,1-2H3;1H4
InChIKeyIHHKOOFVICYNIK-UHFFFAOYSA-N
XLogP3.53
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.20
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[4-(4-phenylbutoxy)phenyl]borane;methane
CID 158958715
2-[2-(4-propan-2-yloxyphenoxy)ethoxy]pyridine
CID 15764663
2-butoxypyridine;carbonic acid
CID 159061563
2-(4-dimethylboranylphenoxy)ethanol
CID 58852404
2-[8-(4-methoxyphenyl)octoxy]pyridine
CID 57023878
2-(2-chloroethoxy)pyridine
CID 22624993
7-pyridin-2-yloxyheptan-1-ol
CID 22675453
8-pyridin-2-yloxyoctan-1-ol
CID 22675460
6-pyridin-2-yloxyhexane-1-thiol
CID 91150264
N-(2-pyridin-2-yloxyethyl)butan-1-amine
CID 119027538
12-pyridin-2-yloxydodecyl acetate
CID 70684250

Frequently Asked Questions

What is the IUPAC name of dimethyl-[4-(3-pyridin-2-yloxypropoxy)phenyl]borane;methane?
The IUPAC name of dimethyl-[4-(3-pyridin-2-yloxypropoxy)phenyl]borane;methane (CID 158699011) is dimethyl-[4-(3-pyridin-2-yloxypropoxy)phenyl]borane;methane.
What is the SMILES notation for dimethyl-[4-(3-pyridin-2-yloxypropoxy)phenyl]borane;methane?
The canonical SMILES for dimethyl-[4-(3-pyridin-2-yloxypropoxy)phenyl]borane;methane is C.CB(C)c1ccc(OCCCOc2ccccn2)cc1.
What is the InChIKey of dimethyl-[4-(3-pyridin-2-yloxypropoxy)phenyl]borane;methane?
The InChIKey is IHHKOOFVICYNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BNO2.CH4/c1-17(2)14-7-9-15(10-8-14)19-12-5-13-20-16-6-3-4-11-18-16;/h3-4,6-11H,5,12-13H2,1-2H3;1H4.
What are the key properties of dimethyl-[4-(3-pyridin-2-yloxypropoxy)phenyl]borane;methane?
dimethyl-[4-(3-pyridin-2-yloxypropoxy)phenyl]borane;methane has a molecular weight of 285.20 g/mol, XLogP of 3.53, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[4-(3-pyridin-2-yloxypropoxy)phenyl]borane;methane is sourced from PubChem (CID 158699011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).