[4-[2-(4-hydroxyphenyl)ethenyl]phenyl]-methylborinic acid

C15H15BO2 — CID 160843028

IUPAC[4-[2-(4-hydroxyphenyl)ethenyl]phenyl]-methylborinic acid
SMILESCB(O)c1ccc(C=Cc2ccc(O)cc2)cc1
InChIInChI=1S/C15H15BO2/c1-16(18)14-8-4-12(5-9-14)2-3-13-6-10-15(17)11-7-13/h2-11,17-18H,1H3
InChIKeyCUQAXQYNPZUBHY-UHFFFAOYSA-N
MW238.09 g/mol
LogP2.38
Rot. Bonds3

About [4-[2-(4-hydroxyphenyl)ethenyl]phenyl]-methylborinic acid

[4-[2-(4-hydroxyphenyl)ethenyl]phenyl]-methylborinic acid (PubChem CID 160843028) has the molecular formula C15H15BO2 and a molecular weight of 238.09 g/mol. Its IUPAC name is [4-[2-(4-hydroxyphenyl)ethenyl]phenyl]-methylborinic acid.

Molecular Properties

Compound Name[4-[2-(4-hydroxyphenyl)ethenyl]phenyl]-methylborinic acid
PubChem CID160843028
Molecular FormulaC15H15BO2
Molecular Weight238.09 g/mol
Exact Mass238.12
IUPAC Name[4-[2-(4-hydroxyphenyl)ethenyl]phenyl]-methylborinic acid
SMILESCB(O)c1ccc(C=Cc2ccc(O)cc2)cc1
InChIInChI=1S/C15H15BO2/c1-16(18)14-8-4-12(5-9-14)2-3-13-6-10-15(17)11-7-13/h2-11,17-18H,1H3
InChIKeyCUQAXQYNPZUBHY-UHFFFAOYSA-N
XLogP2.38
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.09
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-2-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]ethenyl]phenol;triiodovanadium
CID 157160802
4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenol
CID 52942315
4-(2-phenylethenyl)phenol
CID 157400568
5-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2,4,6-trimethoxybenzene-1,3-diol
CID 171051478
4-[(Z)-2-(4-aminophenyl)ethenyl]phenol
CID 25021233
4-[(E)-2-(4-chlorophenyl)ethenyl]phenol
CID 5376643
4-[(E)-2-(4-propan-2-ylphenyl)ethenyl]phenol
CID 122603280
4-[6-(4-hydroxyphenyl)hexa-1,3,5-trienyl]phenol
CID 73020850
ethane;3-fluoro-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenol
CID 143083538
5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;methane
CID 74438837
3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methylphenol
CID 21024515
4-[2-(4-phenylphenyl)ethenyl]phenol
CID 73178657

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-hydroxyphenyl)ethenyl]phenyl]-methylborinic acid?
The IUPAC name of [4-[2-(4-hydroxyphenyl)ethenyl]phenyl]-methylborinic acid (CID 160843028) is [4-[2-(4-hydroxyphenyl)ethenyl]phenyl]-methylborinic acid.
What is the SMILES notation for [4-[2-(4-hydroxyphenyl)ethenyl]phenyl]-methylborinic acid?
The canonical SMILES for [4-[2-(4-hydroxyphenyl)ethenyl]phenyl]-methylborinic acid is CB(O)c1ccc(C=Cc2ccc(O)cc2)cc1.
What is the InChIKey of [4-[2-(4-hydroxyphenyl)ethenyl]phenyl]-methylborinic acid?
The InChIKey is CUQAXQYNPZUBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BO2/c1-16(18)14-8-4-12(5-9-14)2-3-13-6-10-15(17)11-7-13/h2-11,17-18H,1H3.
What are the key properties of [4-[2-(4-hydroxyphenyl)ethenyl]phenyl]-methylborinic acid?
[4-[2-(4-hydroxyphenyl)ethenyl]phenyl]-methylborinic acid has a molecular weight of 238.09 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-hydroxyphenyl)ethenyl]phenyl]-methylborinic acid is sourced from PubChem (CID 160843028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).