3-phenylmethoxyprop-1-enylboronic acid

C10H13BO3 — CID 71358172

IUPAC3-phenylmethoxyprop-1-enylboronic acid
SMILESOB(O)C=CCOCc1ccccc1
InChIInChI=1S/C10H13BO3/c12-11(13)7-4-8-14-9-10-5-2-1-3-6-10/h1-7,12-13H,8-9H2
InChIKeyJLRNXBJMZCDPTE-UHFFFAOYSA-N
MW192.02 g/mol
LogP0.77
Rot. Bonds5

About 3-phenylmethoxyprop-1-enylboronic acid

3-phenylmethoxyprop-1-enylboronic acid (PubChem CID 71358172) has the molecular formula C10H13BO3 and a molecular weight of 192.02 g/mol. Its IUPAC name is 3-phenylmethoxyprop-1-enylboronic acid.

Molecular Properties

Compound Name3-phenylmethoxyprop-1-enylboronic acid
PubChem CID71358172
Molecular FormulaC10H13BO3
Molecular Weight192.02 g/mol
Exact Mass192.10
IUPAC Name3-phenylmethoxyprop-1-enylboronic acid
SMILESOB(O)C=CCOCc1ccccc1
InChIInChI=1S/C10H13BO3/c12-11(13)7-4-8-14-9-10-5-2-1-3-6-10/h1-7,12-13H,8-9H2
InChIKeyJLRNXBJMZCDPTE-UHFFFAOYSA-N
XLogP0.77
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.02
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(E)-4-phenylbut-2-enoxy]methylbenzene
CID 20826226
[(Z)-3-chloroprop-2-enoxy]methylbenzene
CID 131246507
[(E)-4-iodobut-2-enoxy]methylbenzene
CID 11055319
[(Z)-4-prop-2-enoxybut-2-enoxy]methylbenzene
CID 11053131
[(E)-5-phenylmethoxypent-2-enoxy]methylbenzene
CID 10333986
4-phenylmethoxybut-2-enal
CID 56616610
5-phenylmethoxypent-3-enal
CID 54324259
(E)-5-phenylmethoxypent-3-en-2-one
CID 11095410
1-fluoro-4-[(E)-3-phenylmethoxyprop-1-enyl]benzene
CID 11579619
1-[4-[(E)-3-phenylmethoxyprop-1-enyl]phenyl]ethanone
CID 11230907
(Z)-1-bromo-3-phenylmethoxyprop-1-en-1-ol
CID 174340205
(2E,4E)-6-phenylmethoxyhexa-2,4-dienal
CID 101487921

Frequently Asked Questions

What is the IUPAC name of 3-phenylmethoxyprop-1-enylboronic acid?
The IUPAC name of 3-phenylmethoxyprop-1-enylboronic acid (CID 71358172) is 3-phenylmethoxyprop-1-enylboronic acid.
What is the SMILES notation for 3-phenylmethoxyprop-1-enylboronic acid?
The canonical SMILES for 3-phenylmethoxyprop-1-enylboronic acid is OB(O)C=CCOCc1ccccc1.
What is the InChIKey of 3-phenylmethoxyprop-1-enylboronic acid?
The InChIKey is JLRNXBJMZCDPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BO3/c12-11(13)7-4-8-14-9-10-5-2-1-3-6-10/h1-7,12-13H,8-9H2.
What are the key properties of 3-phenylmethoxyprop-1-enylboronic acid?
3-phenylmethoxyprop-1-enylboronic acid has a molecular weight of 192.02 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylmethoxyprop-1-enylboronic acid is sourced from PubChem (CID 71358172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).