boric acid;4-methylphenol

C7H11BO4 — CID 67912006

IUPACboric acid;4-methylphenol
SMILESCc1ccc(O)cc1.OB(O)O
InChIInChI=1S/C7H8O.BH3O3/c1-6-2-4-7(8)5-3-6;2-1(3)4/h2-5,8H,1H3;2-4H
InChIKeyPSYRPLHRJKMQJB-UHFFFAOYSA-N
MW169.97 g/mol
LogP-0.35
Rot. Bonds

About boric acid;4-methylphenol

boric acid;4-methylphenol (PubChem CID 67912006) has the molecular formula C7H11BO4 and a molecular weight of 169.97 g/mol. Its IUPAC name is boric acid;4-methylphenol.

Molecular Properties

Compound Nameboric acid;4-methylphenol
PubChem CID67912006
Molecular FormulaC7H11BO4
Molecular Weight169.97 g/mol
Exact Mass170.08
IUPAC Nameboric acid;4-methylphenol
SMILESCc1ccc(O)cc1.OB(O)O
InChIInChI=1S/C7H8O.BH3O3/c1-6-2-4-7(8)5-3-6;2-1(3)4/h2-5,8H,1H3;2-4H
InChIKeyPSYRPLHRJKMQJB-UHFFFAOYSA-N
XLogP-0.35
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.97
LogP ≤ 5-0.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methylphenol
CID 70549076
bis(4-methylphenol);tetrahydrochloride
CID 175346853
4-methylphenol;hydrate
CID 71777661
chromium;bis(4-methylphenol);chloride
CID 172752271
4-methylphenol;2-methylpropane
CID 91606636
ethane;4-(4-methylphenyl)phenol
CID 161379556
dichlorotungsten;tris(4-methylphenol);hydrate
CID 153466835
4-methylphenol;prop-1-yne
CID 158792009
4-methylphenol;propan-2-ylphosphane
CID 144779899
ethane;formic acid;4-methylphenol
CID 143673297
bis(4-hydroxyphenyl)-(4-methylphenyl)sulfanium
CID 22901782
4-[(4-methylphenyl)diazenyl]phenol
CID 2827322

Frequently Asked Questions

What is the IUPAC name of boric acid;4-methylphenol?
The IUPAC name of boric acid;4-methylphenol (CID 67912006) is boric acid;4-methylphenol.
What is the SMILES notation for boric acid;4-methylphenol?
The canonical SMILES for boric acid;4-methylphenol is Cc1ccc(O)cc1.OB(O)O.
What is the InChIKey of boric acid;4-methylphenol?
The InChIKey is PSYRPLHRJKMQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O.BH3O3/c1-6-2-4-7(8)5-3-6;2-1(3)4/h2-5,8H,1H3;2-4H.
What are the key properties of boric acid;4-methylphenol?
boric acid;4-methylphenol has a molecular weight of 169.97 g/mol, XLogP of -0.35, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;4-methylphenol is sourced from PubChem (CID 67912006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).