2-hydroxy-6-propan-2-yl-3,4-dihydro-1,2-benzoxaborinine

C11H15BO2 — CID 170670927

IUPAC2-hydroxy-6-propan-2-yl-3,4-dihydro-1,2-benzoxaborinine
SMILESCC(C)c1ccc2c(c1)CCB(O)O2
InChIInChI=1S/C11H15BO2/c1-8(2)9-3-4-11-10(7-9)5-6-12(13)14-11/h3-4,7-8,13H,5-6H2,1-2H3
InChIKeyWLLHFKVDVMSJEQ-UHFFFAOYSA-N
MW190.05 g/mol
LogP2.23
Rot. Bonds1

About 2-hydroxy-6-propan-2-yl-3,4-dihydro-1,2-benzoxaborinine

2-hydroxy-6-propan-2-yl-3,4-dihydro-1,2-benzoxaborinine (PubChem CID 170670927) has the molecular formula C11H15BO2 and a molecular weight of 190.05 g/mol. Its IUPAC name is 2-hydroxy-6-propan-2-yl-3,4-dihydro-1,2-benzoxaborinine.

Molecular Properties

Compound Name2-hydroxy-6-propan-2-yl-3,4-dihydro-1,2-benzoxaborinine
PubChem CID170670927
Molecular FormulaC11H15BO2
Molecular Weight190.05 g/mol
Exact Mass190.12
IUPAC Name2-hydroxy-6-propan-2-yl-3,4-dihydro-1,2-benzoxaborinine
SMILESCC(C)c1ccc2c(c1)CCB(O)O2
InChIInChI=1S/C11H15BO2/c1-8(2)9-3-4-11-10(7-9)5-6-12(13)14-11/h3-4,7-8,13H,5-6H2,1-2H3
InChIKeyWLLHFKVDVMSJEQ-UHFFFAOYSA-N
XLogP2.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.05
LogP ≤ 52.23
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

5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-2,3-dihydro-1-benzofuran
CID 158005969
ethane;6-propan-2-yl-3,4-dihydrochromen-2-one
CID 154661810
3,4-dihydro-2H-chromen-6-yl-(4-propan-2-ylphenyl)methanol
CID 61083091
(2S)-2-ethenyl-2-methyl-6-propan-2-yl-3,4-dihydrochromene
CID 102455266
2,3-dihydro-1-benzofuran-5-yl-(4-propan-2-ylphenyl)methanamine
CID 43198470
6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 22951095
1-(2,3-dihydro-1-benzofuran-5-yl)-2-propan-2-yloxyethanol
CID 79567818
1-hydroxy-5-propan-2-yl-3H-2,1-benzoxaborole;1-hydroxy-6-propan-2-yl-3H-2,1-benzoxaborole
CID 157201026
6-propan-2-yl-4H-chromen-3-one
CID 82603351
1-(2,3-dihydro-1-benzofuran-5-yl)-1-methoxy-N,N-dimethylmethanamine
CID 116914533
3,3-difluoro-6-propan-2-yl-2,4-dihydrochromene
CID 59613675
ethane;methane;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 160891896

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-propan-2-yl-3,4-dihydro-1,2-benzoxaborinine?
The IUPAC name of 2-hydroxy-6-propan-2-yl-3,4-dihydro-1,2-benzoxaborinine (CID 170670927) is 2-hydroxy-6-propan-2-yl-3,4-dihydro-1,2-benzoxaborinine.
What is the SMILES notation for 2-hydroxy-6-propan-2-yl-3,4-dihydro-1,2-benzoxaborinine?
The canonical SMILES for 2-hydroxy-6-propan-2-yl-3,4-dihydro-1,2-benzoxaborinine is CC(C)c1ccc2c(c1)CCB(O)O2.
What is the InChIKey of 2-hydroxy-6-propan-2-yl-3,4-dihydro-1,2-benzoxaborinine?
The InChIKey is WLLHFKVDVMSJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BO2/c1-8(2)9-3-4-11-10(7-9)5-6-12(13)14-11/h3-4,7-8,13H,5-6H2,1-2H3.
What are the key properties of 2-hydroxy-6-propan-2-yl-3,4-dihydro-1,2-benzoxaborinine?
2-hydroxy-6-propan-2-yl-3,4-dihydro-1,2-benzoxaborinine has a molecular weight of 190.05 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-propan-2-yl-3,4-dihydro-1,2-benzoxaborinine is sourced from PubChem (CID 170670927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).