1-hydroxy-3H-benzo[g][2,1]benzoxaborole

C11H9BO2 — CID 11846118

IUPAC1-hydroxy-3H-benzo[g][2,1]benzoxaborole
SMILESOB1OCc2ccc3ccccc3c21
InChIInChI=1S/C11H9BO2/c13-12-11-9(7-14-12)6-5-8-3-1-2-4-10(8)11/h1-6,13H,7H2
InChIKeyRKVSRXYPRHUVSI-UHFFFAOYSA-N
MW184.00 g/mol
LogP1.06
Rot. Bonds

About 1-hydroxy-3H-benzo[g][2,1]benzoxaborole

1-hydroxy-3H-benzo[g][2,1]benzoxaborole (PubChem CID 11846118) has the molecular formula C11H9BO2 and a molecular weight of 184.00 g/mol. Its IUPAC name is 1-hydroxy-3H-benzo[g][2,1]benzoxaborole.

Molecular Properties

Compound Name1-hydroxy-3H-benzo[g][2,1]benzoxaborole
PubChem CID11846118
Molecular FormulaC11H9BO2
Molecular Weight184.00 g/mol
Exact Mass184.07
IUPAC Name1-hydroxy-3H-benzo[g][2,1]benzoxaborole
SMILESOB1OCc2ccc3ccccc3c21
InChIInChI=1S/C11H9BO2/c13-12-11-9(7-14-12)6-5-8-3-1-2-4-10(8)11/h1-6,13H,7H2
InChIKeyRKVSRXYPRHUVSI-UHFFFAOYSA-N
XLogP1.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.00
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1-hydroxy-3H-2,1-benzoxaborol-7-yl)methanol
CID 24966978
2-(2-methylnaphthalen-1-yl)-1,3,2-dioxaborolane
CID 11321807
2-[(1-hydroxy-3H-2,1-benzoxaborol-7-yl)oxy]ethanamine
CID 57451835
ethane;1-hydroxy-3H-2,1-benzoxaborole
CID 90904169
1-[(1-hydroxy-7-phenyl-3H-2,1-benzoxaborol-6-yl)oxy]propan-2-one
CID 90457849
3H-benzo[g][1,2]benzodioxole
CID 54077713
pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaene
CID 2801713
1-(1-hydroxy-3H-2,1-benzoxaborol-7-yl)-N-phenylmethoxymethanimine
CID 76777789
phenanthrene;phosphinous acid
CID 174826862
heptacyclo[16.12.0.02,15.03,12.04,9.021,30.024,29]triaconta-1(18),2(15),3(12),4,6,8,10,16,21(30),22,24,26,28-tridecaene
CID 11954527
phenanthrene;sulfane
CID 159172584
phenanthrene;phosphane
CID 161431298

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3H-benzo[g][2,1]benzoxaborole?
The IUPAC name of 1-hydroxy-3H-benzo[g][2,1]benzoxaborole (CID 11846118) is 1-hydroxy-3H-benzo[g][2,1]benzoxaborole.
What is the SMILES notation for 1-hydroxy-3H-benzo[g][2,1]benzoxaborole?
The canonical SMILES for 1-hydroxy-3H-benzo[g][2,1]benzoxaborole is OB1OCc2ccc3ccccc3c21.
What is the InChIKey of 1-hydroxy-3H-benzo[g][2,1]benzoxaborole?
The InChIKey is RKVSRXYPRHUVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BO2/c13-12-11-9(7-14-12)6-5-8-3-1-2-4-10(8)11/h1-6,13H,7H2.
What are the key properties of 1-hydroxy-3H-benzo[g][2,1]benzoxaborole?
1-hydroxy-3H-benzo[g][2,1]benzoxaborole has a molecular weight of 184.00 g/mol, XLogP of 1.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3H-benzo[g][2,1]benzoxaborole is sourced from PubChem (CID 11846118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).