1,2,2-triphenylethenoxyboronic acid

C20H17BO3 — CID 67742343

IUPAC1,2,2-triphenylethenoxyboronic acid
SMILESOB(O)OC(=C(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H17BO3/c22-21(23)24-20(18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15,22-23H
InChIKeyDEKVZDSHDARFEK-UHFFFAOYSA-N
MW316.17 g/mol
LogP3.59
Rot. Bonds5

About 1,2,2-triphenylethenoxyboronic acid

1,2,2-triphenylethenoxyboronic acid (PubChem CID 67742343) has the molecular formula C20H17BO3 and a molecular weight of 316.17 g/mol. Its IUPAC name is 1,2,2-triphenylethenoxyboronic acid.

Molecular Properties

Compound Name1,2,2-triphenylethenoxyboronic acid
PubChem CID67742343
Molecular FormulaC20H17BO3
Molecular Weight316.17 g/mol
Exact Mass316.13
IUPAC Name1,2,2-triphenylethenoxyboronic acid
SMILESOB(O)OC(=C(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H17BO3/c22-21(23)24-20(18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15,22-23H
InChIKeyDEKVZDSHDARFEK-UHFFFAOYSA-N
XLogP3.59
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.17
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

CID 67882804
CID 67882804
1,2,2-triphenylethenyl dihydrogen phosphate
CID 140981505
phosphane;1,2,2-triphenylethenylbenzene
CID 157288563
4-(1,2-dimethoxy-2-phenylethenyl)phenol
CID 91321560
dilithium;hydride;1,2,2-triphenylethenylbenzene
CID 173364079
(1-(131I)iodo-2,2-diphenylethenyl)benzene
CID 134933335
boric acid;pyridine;1,2,2-triphenylethenylbenzene
CID 158859997
dimethyl-phenoxy-(1,2,2-triphenylethenoxy)silane
CID 10410016
bis(N-phenylaniline);1,2,2-triphenylethenylbenzene
CID 159300087
(E)-3-methoxy-2-methyl-1,3-diphenylprop-2-en-1-one
CID 101099005
benzoyloxy(chlorooxy)borinic acid
CID 174976696
[2-methyl-1-(2-methyl-1-phenylprop-1-enoxy)prop-1-enyl]benzene
CID 57127661

Frequently Asked Questions

What is the IUPAC name of 1,2,2-triphenylethenoxyboronic acid?
The IUPAC name of 1,2,2-triphenylethenoxyboronic acid (CID 67742343) is 1,2,2-triphenylethenoxyboronic acid.
What is the SMILES notation for 1,2,2-triphenylethenoxyboronic acid?
The canonical SMILES for 1,2,2-triphenylethenoxyboronic acid is OB(O)OC(=C(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of 1,2,2-triphenylethenoxyboronic acid?
The InChIKey is DEKVZDSHDARFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BO3/c22-21(23)24-20(18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15,22-23H.
What are the key properties of 1,2,2-triphenylethenoxyboronic acid?
1,2,2-triphenylethenoxyboronic acid has a molecular weight of 316.17 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-triphenylethenoxyboronic acid is sourced from PubChem (CID 67742343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).