ethoxy-bis(3-methylphenyl)borane

C16H19BO — CID 141274428

IUPACethoxy-bis(3-methylphenyl)borane
SMILESCCOB(c1cccc(C)c1)c1cccc(C)c1
InChIInChI=1S/C16H19BO/c1-4-18-17(15-9-5-7-13(2)11-15)16-10-6-8-14(3)12-16/h5-12H,4H2,1-3H3
InChIKeyURXSTXMOVOLRMH-UHFFFAOYSA-N
MW238.14 g/mol
LogP2.45
Rot. Bonds4

About ethoxy-bis(3-methylphenyl)borane

ethoxy-bis(3-methylphenyl)borane (PubChem CID 141274428) has the molecular formula C16H19BO and a molecular weight of 238.14 g/mol. Its IUPAC name is ethoxy-bis(3-methylphenyl)borane.

Molecular Properties

Compound Nameethoxy-bis(3-methylphenyl)borane
PubChem CID141274428
Molecular FormulaC16H19BO
Molecular Weight238.14 g/mol
Exact Mass238.15
IUPAC Nameethoxy-bis(3-methylphenyl)borane
SMILESCCOB(c1cccc(C)c1)c1cccc(C)c1
InChIInChI=1S/C16H19BO/c1-4-18-17(15-9-5-7-13(2)11-15)16-10-6-8-14(3)12-16/h5-12H,4H2,1-3H3
InChIKeyURXSTXMOVOLRMH-UHFFFAOYSA-N
XLogP2.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.14
LogP ≤ 52.45
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

dichloro-(3-methylphenyl)borane
CID 134904379
(3-methylphenyl)-diphenylborane
CID 145125944
ethane;propane;1,3-xylene
CID 144528046
fluorooxy-(3-methylphenyl)borinic acid
CID 141302935
aminooxy-(3-methylphenyl)borinic acid
CID 174117625
(3-methylphenyl)-dioxidoborane;bis(2,4,6-trimethylpyridin-1-ium)
CID 170553385
1-(2-ethoxyethylsulfonyl)-3-methylbenzene
CID 91509365
1-methyl-3-[(3-methylphenyl)methoxymethyl]benzene
CID 15640186
phosphane;tris(1,3-xylene)
CID 67351774
uranium;1,3-xylene
CID 142096795
argon;1,3-xylene
CID 161468194
ethane;1,3-xylene
CID 54570178

Frequently Asked Questions

What is the IUPAC name of ethoxy-bis(3-methylphenyl)borane?
The IUPAC name of ethoxy-bis(3-methylphenyl)borane (CID 141274428) is ethoxy-bis(3-methylphenyl)borane.
What is the SMILES notation for ethoxy-bis(3-methylphenyl)borane?
The canonical SMILES for ethoxy-bis(3-methylphenyl)borane is CCOB(c1cccc(C)c1)c1cccc(C)c1.
What is the InChIKey of ethoxy-bis(3-methylphenyl)borane?
The InChIKey is URXSTXMOVOLRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BO/c1-4-18-17(15-9-5-7-13(2)11-15)16-10-6-8-14(3)12-16/h5-12H,4H2,1-3H3.
What are the key properties of ethoxy-bis(3-methylphenyl)borane?
ethoxy-bis(3-methylphenyl)borane has a molecular weight of 238.14 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-bis(3-methylphenyl)borane is sourced from PubChem (CID 141274428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).