boric acid;2-methylprop-2-enoic acid;phenol

C10H15BO6 — CID 175548516

IUPACboric acid;2-methylprop-2-enoic acid;phenol
SMILESC=C(C)C(=O)O.OB(O)O.Oc1ccccc1
InChIInChI=1S/C6H6O.C4H6O2.BH3O3/c7-6-4-2-1-3-5-6;1-3(2)4(5)6;2-1(3)4/h1-5,7H;1H2,2H3,(H,5,6);2-4H
InChIKeyRHRNDTHZXSUOCM-UHFFFAOYSA-N
MW242.04 g/mol
LogP-0.01
Rot. Bonds1

About boric acid;2-methylprop-2-enoic acid;phenol

boric acid;2-methylprop-2-enoic acid;phenol (PubChem CID 175548516) has the molecular formula C10H15BO6 and a molecular weight of 242.04 g/mol. Its IUPAC name is boric acid;2-methylprop-2-enoic acid;phenol.

Molecular Properties

Compound Nameboric acid;2-methylprop-2-enoic acid;phenol
PubChem CID175548516
Molecular FormulaC10H15BO6
Molecular Weight242.04 g/mol
Exact Mass242.10
IUPAC Nameboric acid;2-methylprop-2-enoic acid;phenol
SMILESC=C(C)C(=O)O.OB(O)O.Oc1ccccc1
InChIInChI=1S/C6H6O.C4H6O2.BH3O3/c7-6-4-2-1-3-5-6;1-3(2)4(5)6;2-1(3)4/h1-5,7H;1H2,2H3,(H,5,6);2-4H
InChIKeyRHRNDTHZXSUOCM-UHFFFAOYSA-N
XLogP-0.01
TPSA118.22 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.04
LogP ≤ 5-0.01
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze boric acid;2-methylprop-2-enoic acid;phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methylprop-2-enoic acid;phenol;hydrofluoride
CID 174940878
acetic acid;phenol
CID 70537927
benzene;boric acid;phenol
CID 174946878
biphenylene;2-methylprop-2-enoic acid
CID 174864090
phenol;propan-2-one;hydrate
CID 161159865
benzene-1,4-diol;1,4-bis(prop-1-en-2-yl)benzene;bis(2-methylprop-2-enoic acid)
CID 67862171
bis(diphenylmethanone);2-methylprop-2-enoic acid
CID 175044660
benzene;methanol;bis(2-methylprop-2-enoic acid)
CID 175511919
2-Propenoic acid,2-methyl-, aluminum salt (3:1)
CID 87069865
2-methylprop-2-enoic acid;7-thiabicyclo[4.1.0]hepta-1,3,5-triene
CID 88725230
2-methylprop-2-enoic acid;triphenylphosphane
CID 173320900
2-methylidenebutanoic acid;phenol;hydrate
CID 158804771

Frequently Asked Questions

What is the IUPAC name of boric acid;2-methylprop-2-enoic acid;phenol?
The IUPAC name of boric acid;2-methylprop-2-enoic acid;phenol (CID 175548516) is boric acid;2-methylprop-2-enoic acid;phenol.
What is the SMILES notation for boric acid;2-methylprop-2-enoic acid;phenol?
The canonical SMILES for boric acid;2-methylprop-2-enoic acid;phenol is C=C(C)C(=O)O.OB(O)O.Oc1ccccc1.
What is the InChIKey of boric acid;2-methylprop-2-enoic acid;phenol?
The InChIKey is RHRNDTHZXSUOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O.C4H6O2.BH3O3/c7-6-4-2-1-3-5-6;1-3(2)4(5)6;2-1(3)4/h1-5,7H;1H2,2H3,(H,5,6);2-4H.
What are the key properties of boric acid;2-methylprop-2-enoic acid;phenol?
boric acid;2-methylprop-2-enoic acid;phenol has a molecular weight of 242.04 g/mol, XLogP of -0.01, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;2-methylprop-2-enoic acid;phenol is sourced from PubChem (CID 175548516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).