methane;[(E)-2-phenylethenyl]boronic acid

C9H13BO2 — CID 161139554

IUPACmethane;[(E)-2-phenylethenyl]boronic acid
SMILESC.OB(O)/C=C/c1ccccc1
InChIInChI=1S/C8H9BO2.CH4/c10-9(11)7-6-8-4-2-1-3-5-8;/h1-7,10-11H;1H4/b7-6+;
InChIKeyUNGFEWWYDNAQHY-UHDJGPCESA-N
MW164.01 g/mol
LogP1.35
Rot. Bonds2

About methane;[(E)-2-phenylethenyl]boronic acid

methane;[(E)-2-phenylethenyl]boronic acid (PubChem CID 161139554) has the molecular formula C9H13BO2 and a molecular weight of 164.01 g/mol. Its IUPAC name is methane;[(E)-2-phenylethenyl]boronic acid.

Molecular Properties

Compound Namemethane;[(E)-2-phenylethenyl]boronic acid
PubChem CID161139554
Molecular FormulaC9H13BO2
Molecular Weight164.01 g/mol
Exact Mass164.10
IUPAC Namemethane;[(E)-2-phenylethenyl]boronic acid
SMILESC.OB(O)/C=C/c1ccccc1
InChIInChI=1S/C8H9BO2.CH4/c10-9(11)7-6-8-4-2-1-3-5-8;/h1-7,10-11H;1H4/b7-6+;
InChIKeyUNGFEWWYDNAQHY-UHDJGPCESA-N
XLogP1.35
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.01
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 70567885
CID 70567885
CID 70569152
CID 70569152
[(E)-2-(4-nitrophenyl)ethenyl]boronic acid
CID 6031418
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
4-phenylbuta-1,3-dienylbenzene
CID 162273071
hydride;rubidium(1+);stilbene
CID 173437843
disodium;hydride;(E)-stilbene
CID 173089328
[4-[(E)-2-phenylethenyl]phenoxy]boronic acid
CID 139821180
[(1Z,3E,5Z,7E)-8-phenylocta-1,3,5,7-tetraenyl]benzene
CID 124922219
stilbene;sulfuric acid
CID 67612140
4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenol
CID 52942315
acetic acid;stilbene
CID 172803728

Frequently Asked Questions

What is the IUPAC name of methane;[(E)-2-phenylethenyl]boronic acid?
The IUPAC name of methane;[(E)-2-phenylethenyl]boronic acid (CID 161139554) is methane;[(E)-2-phenylethenyl]boronic acid.
What is the SMILES notation for methane;[(E)-2-phenylethenyl]boronic acid?
The canonical SMILES for methane;[(E)-2-phenylethenyl]boronic acid is C.OB(O)/C=C/c1ccccc1.
What is the InChIKey of methane;[(E)-2-phenylethenyl]boronic acid?
The InChIKey is UNGFEWWYDNAQHY-UHDJGPCESA-N. The full InChI is InChI=1S/C8H9BO2.CH4/c10-9(11)7-6-8-4-2-1-3-5-8;/h1-7,10-11H;1H4/b7-6+;.
What are the key properties of methane;[(E)-2-phenylethenyl]boronic acid?
methane;[(E)-2-phenylethenyl]boronic acid has a molecular weight of 164.01 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;[(E)-2-phenylethenyl]boronic acid is sourced from PubChem (CID 161139554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).