boric acid;2-prop-2-enylphenol

C9H13BO4 — CID 70457137

IUPACboric acid;2-prop-2-enylphenol
SMILESC=CCc1ccccc1O.OB(O)O
InChIInChI=1S/C9H10O.BH3O3/c1-2-5-8-6-3-4-7-9(8)10;2-1(3)4/h2-4,6-7,10H,1,5H2;2-4H
InChIKeyWZTGGPWUMOBKCZ-UHFFFAOYSA-N
MW196.01 g/mol
LogP0.07
Rot. Bonds2

About boric acid;2-prop-2-enylphenol

boric acid;2-prop-2-enylphenol (PubChem CID 70457137) has the molecular formula C9H13BO4 and a molecular weight of 196.01 g/mol. Its IUPAC name is boric acid;2-prop-2-enylphenol.

Molecular Properties

Compound Nameboric acid;2-prop-2-enylphenol
PubChem CID70457137
Molecular FormulaC9H13BO4
Molecular Weight196.01 g/mol
Exact Mass196.09
IUPAC Nameboric acid;2-prop-2-enylphenol
SMILESC=CCc1ccccc1O.OB(O)O
InChIInChI=1S/C9H10O.BH3O3/c1-2-5-8-6-3-4-7-9(8)10;2-1(3)4/h2-4,6-7,10H,1,5H2;2-4H
InChIKeyWZTGGPWUMOBKCZ-UHFFFAOYSA-N
XLogP0.07
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.01
LogP ≤ 50.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of boric acid;2-prop-2-enylphenol?
The IUPAC name of boric acid;2-prop-2-enylphenol (CID 70457137) is boric acid;2-prop-2-enylphenol.
What is the SMILES notation for boric acid;2-prop-2-enylphenol?
The canonical SMILES for boric acid;2-prop-2-enylphenol is C=CCc1ccccc1O.OB(O)O.
What is the InChIKey of boric acid;2-prop-2-enylphenol?
The InChIKey is WZTGGPWUMOBKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O.BH3O3/c1-2-5-8-6-3-4-7-9(8)10;2-1(3)4/h2-4,6-7,10H,1,5H2;2-4H.
What are the key properties of boric acid;2-prop-2-enylphenol?
boric acid;2-prop-2-enylphenol has a molecular weight of 196.01 g/mol, XLogP of 0.07, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;2-prop-2-enylphenol is sourced from PubChem (CID 70457137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).