1-hydroxy-3,4-dihydro-2H-1-benzoborinine

C9H11BO — CID 158060039

IUPAC1-hydroxy-3,4-dihydro-2H-1-benzoborinine
SMILESOB1CCCc2ccccc21
InChIInChI=1S/C9H11BO/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,11H,3,5,7H2
InChIKeyNCUUVCNBXRKFMA-UHFFFAOYSA-N
MW146.00 g/mol
LogP0.82
Rot. Bonds

About 1-hydroxy-3,4-dihydro-2H-1-benzoborinine

1-hydroxy-3,4-dihydro-2H-1-benzoborinine (PubChem CID 158060039) has the molecular formula C9H11BO and a molecular weight of 146.00 g/mol. Its IUPAC name is 1-hydroxy-3,4-dihydro-2H-1-benzoborinine.

Molecular Properties

Compound Name1-hydroxy-3,4-dihydro-2H-1-benzoborinine
PubChem CID158060039
Molecular FormulaC9H11BO
Molecular Weight146.00 g/mol
Exact Mass146.09
IUPAC Name1-hydroxy-3,4-dihydro-2H-1-benzoborinine
SMILESOB1CCCc2ccccc21
InChIInChI=1S/C9H11BO/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,11H,3,5,7H2
InChIKeyNCUUVCNBXRKFMA-UHFFFAOYSA-N
XLogP0.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.00
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-2,3,4,5-tetrahydro-1-benzoborepine
CID 142078378
1,2,3,4-tetrahydronaphthalene
CID 174531863
2,3-dihydro-1H-indene;hypobromous acid
CID 174544280
1-propyl-2,3-dihydro-1-benzoborole
CID 135050654
2,3-dihydro-1H-indene;methane
CID 158581717
2,3-dihydro-1H-indene;tetrahydrochloride
CID 175293615
azane;1,2,3,4-tetrahydronaphthalene
CID 22598116
carbonic acid;1,2,3,4-tetrahydronaphthalene
CID 175229813
ethane;6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 143018675
8,8-dimethyl-1-boratetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaene;ethane
CID 91561188
1-hydroxy-3H-2,1-benzoxaborole;hydrochloride
CID 140657530
1,2,3,4-tetrahydronaphthalene;triazine
CID 22467693

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3,4-dihydro-2H-1-benzoborinine?
The IUPAC name of 1-hydroxy-3,4-dihydro-2H-1-benzoborinine (CID 158060039) is 1-hydroxy-3,4-dihydro-2H-1-benzoborinine.
What is the SMILES notation for 1-hydroxy-3,4-dihydro-2H-1-benzoborinine?
The canonical SMILES for 1-hydroxy-3,4-dihydro-2H-1-benzoborinine is OB1CCCc2ccccc21.
What is the InChIKey of 1-hydroxy-3,4-dihydro-2H-1-benzoborinine?
The InChIKey is NCUUVCNBXRKFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BO/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,11H,3,5,7H2.
What are the key properties of 1-hydroxy-3,4-dihydro-2H-1-benzoborinine?
1-hydroxy-3,4-dihydro-2H-1-benzoborinine has a molecular weight of 146.00 g/mol, XLogP of 0.82, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3,4-dihydro-2H-1-benzoborinine is sourced from PubChem (CID 158060039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).