bis(3-methoxyphenyl)borinic acid

C14H15BO3 — CID 153354662

IUPACbis(3-methoxyphenyl)borinic acid
SMILESCOc1cccc(B(O)c2cccc(OC)c2)c1
InChIInChI=1S/C14H15BO3/c1-17-13-7-3-5-11(9-13)15(16)12-6-4-8-14(10-12)18-2/h3-10,16H,1-2H3
InChIKeyZPMQJKJOXLACDX-UHFFFAOYSA-N
MW242.08 g/mol
LogP0.80
Rot. Bonds4

About bis(3-methoxyphenyl)borinic acid

bis(3-methoxyphenyl)borinic acid (PubChem CID 153354662) has the molecular formula C14H15BO3 and a molecular weight of 242.08 g/mol. Its IUPAC name is bis(3-methoxyphenyl)borinic acid.

Molecular Properties

Compound Namebis(3-methoxyphenyl)borinic acid
PubChem CID153354662
Molecular FormulaC14H15BO3
Molecular Weight242.08 g/mol
Exact Mass242.11
IUPAC Namebis(3-methoxyphenyl)borinic acid
SMILESCOc1cccc(B(O)c2cccc(OC)c2)c1
InChIInChI=1S/C14H15BO3/c1-17-13-7-3-5-11(9-13)15(16)12-6-4-8-14(10-12)18-2/h3-10,16H,1-2H3
InChIKeyZPMQJKJOXLACDX-UHFFFAOYSA-N
XLogP0.80
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.08
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-methoxyphenyl)boronic acid
CID 2734370
[3-(3-methoxyphenyl)phenyl]boronic acid
CID 23005394
1,3-dimethoxybenzene;1,4-dimethoxybenzene
CID 91359455
tris(1,3-dimethoxybenzene);phosphane
CID 160853878
CID 172849383
CID 172849383
azane;1,3-dimethoxybenzene
CID 70210283
calcium;1,3-dimethoxybenzene;hydride
CID 174808068
carbanide;1,3-dimethoxybenzene;rubidium(1+)
CID 160752391
CID 139245906
CID 139245906
sodium 3-methoxyphenol
CID 19079440
magnesium bis(3-methoxyphenolate)
CID 10858575
ethane;3-methoxyphenol
CID 142018283

Frequently Asked Questions

What is the IUPAC name of bis(3-methoxyphenyl)borinic acid?
The IUPAC name of bis(3-methoxyphenyl)borinic acid (CID 153354662) is bis(3-methoxyphenyl)borinic acid.
What is the SMILES notation for bis(3-methoxyphenyl)borinic acid?
The canonical SMILES for bis(3-methoxyphenyl)borinic acid is COc1cccc(B(O)c2cccc(OC)c2)c1.
What is the InChIKey of bis(3-methoxyphenyl)borinic acid?
The InChIKey is ZPMQJKJOXLACDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BO3/c1-17-13-7-3-5-11(9-13)15(16)12-6-4-8-14(10-12)18-2/h3-10,16H,1-2H3.
What are the key properties of bis(3-methoxyphenyl)borinic acid?
bis(3-methoxyphenyl)borinic acid has a molecular weight of 242.08 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-methoxyphenyl)borinic acid is sourced from PubChem (CID 153354662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).