[3-[(E)-3-phenylprop-2-enoxy]phenyl]boronic acid

C15H15BO3 — CID 43327904

IUPAC[3-[(E)-3-phenylprop-2-enoxy]phenyl]boronic acid
SMILESOB(O)c1cccc(OC/C=C/c2ccccc2)c1
InChIInChI=1S/C15H15BO3/c17-16(18)14-9-4-10-15(12-14)19-11-5-8-13-6-2-1-3-7-13/h1-10,12,17-18H,11H2/b8-5+
InChIKeyVEKHIXZXYHIKGI-VMPITWQZSA-N
MW254.09 g/mol
LogP1.46
Rot. Bonds5

About [3-[(E)-3-phenylprop-2-enoxy]phenyl]boronic acid

[3-[(E)-3-phenylprop-2-enoxy]phenyl]boronic acid (PubChem CID 43327904) has the molecular formula C15H15BO3 and a molecular weight of 254.09 g/mol. Its IUPAC name is [3-[(E)-3-phenylprop-2-enoxy]phenyl]boronic acid.

Molecular Properties

Compound Name[3-[(E)-3-phenylprop-2-enoxy]phenyl]boronic acid
PubChem CID43327904
Molecular FormulaC15H15BO3
Molecular Weight254.09 g/mol
Exact Mass254.11
IUPAC Name[3-[(E)-3-phenylprop-2-enoxy]phenyl]boronic acid
SMILESOB(O)c1cccc(OC/C=C/c2ccccc2)c1
InChIInChI=1S/C15H15BO3/c17-16(18)14-9-4-10-15(12-14)19-11-5-8-13-6-2-1-3-7-13/h1-10,12,17-18H,11H2/b8-5+
InChIKeyVEKHIXZXYHIKGI-VMPITWQZSA-N
XLogP1.46
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.09
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[5-(3-phenylprop-2-enoxy)-3-pyridinyl]boronic acid
CID 77022530
3-(3-phenylprop-2-enoxy)benzaldehyde
CID 53409573
1-[(E)-3-phenylprop-2-enoxy]-3-(trifluoromethoxy)benzene
CID 135029746
2-bromo-7-[(E)-3-phenylprop-2-enoxy]naphthalene
CID 132821616
2,4-dioxo-4-[3-[(E)-3-phenylprop-2-enoxy]phenyl]butanoic acid
CID 6479000
1-methoxy-4-(3-phenoxyprop-1-enyl)benzene
CID 67215625
[3-(methoxymethoxy)phenyl]boronic acid
CID 22606941
2-[(E)-3-phenylprop-2-enoxy]phenol
CID 12554327
[3-[(3,5-dimethylphenyl)methoxy]phenyl]boronic acid
CID 54911074
5-(3-phenylprop-2-enoxy)-1,3-benzodioxole
CID 54275545
[3-(quinolin-2-ylmethoxy)phenyl]boronic acid
CID 43327889
[3-[(2E)-2-ethenylpenta-2,4-dienoxy]phenyl]boronic acid
CID 143867943

Frequently Asked Questions

What is the IUPAC name of [3-[(E)-3-phenylprop-2-enoxy]phenyl]boronic acid?
The IUPAC name of [3-[(E)-3-phenylprop-2-enoxy]phenyl]boronic acid (CID 43327904) is [3-[(E)-3-phenylprop-2-enoxy]phenyl]boronic acid.
What is the SMILES notation for [3-[(E)-3-phenylprop-2-enoxy]phenyl]boronic acid?
The canonical SMILES for [3-[(E)-3-phenylprop-2-enoxy]phenyl]boronic acid is OB(O)c1cccc(OC/C=C/c2ccccc2)c1.
What is the InChIKey of [3-[(E)-3-phenylprop-2-enoxy]phenyl]boronic acid?
The InChIKey is VEKHIXZXYHIKGI-VMPITWQZSA-N. The full InChI is InChI=1S/C15H15BO3/c17-16(18)14-9-4-10-15(12-14)19-11-5-8-13-6-2-1-3-7-13/h1-10,12,17-18H,11H2/b8-5+.
What are the key properties of [3-[(E)-3-phenylprop-2-enoxy]phenyl]boronic acid?
[3-[(E)-3-phenylprop-2-enoxy]phenyl]boronic acid has a molecular weight of 254.09 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(E)-3-phenylprop-2-enoxy]phenyl]boronic acid is sourced from PubChem (CID 43327904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).