2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indol-5-ol

C14H18BNO3 — CID 155672392

IUPAC2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indol-5-ol
SMILESCC1(C)OB(c2cc3cc(O)ccc3[nH]2)OC1(C)C
InChIInChI=1S/C14H18BNO3/c1-13(2)14(3,4)19-15(18-13)12-8-9-7-10(17)5-6-11(9)16-12/h5-8,16-17H,1-4H3
InChIKeySYGXOVJEYNJADZ-UHFFFAOYSA-N
MW259.11 g/mol
LogP2.17
Rot. Bonds1

About 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indol-5-ol

2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indol-5-ol (PubChem CID 155672392) has the molecular formula C14H18BNO3 and a molecular weight of 259.11 g/mol. Its IUPAC name is 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indol-5-ol.

Molecular Properties

Compound Name2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indol-5-ol
PubChem CID155672392
Molecular FormulaC14H18BNO3
Molecular Weight259.11 g/mol
Exact Mass259.14
IUPAC Name2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indol-5-ol
SMILESCC1(C)OB(c2cc3cc(O)ccc3[nH]2)OC1(C)C
InChIInChI=1S/C14H18BNO3/c1-13(2)14(3,4)19-15(18-13)12-8-9-7-10(17)5-6-11(9)16-12/h5-8,16-17H,1-4H3
InChIKeySYGXOVJEYNJADZ-UHFFFAOYSA-N
XLogP2.17
TPSA54.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.11
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-ol
CID 157328248
1H-indole-2,5-diol
CID 45082883
6-fluoro-7-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
CID 56973262
methanol;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
CID 158702164
2-(methylaminomethyl)-1H-indol-5-ol
CID 14906015
2-(aminomethyl)-1H-indol-5-ol
CID 14906013
3,5-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol;ethane
CID 143678827
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4,5,6,7-tetrahydro-1H-indole
CID 176793059
ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-2-carboxylate
CID 21111505
pyrimidine;2-pyrimidin-5-yl-1H-indol-5-ol
CID 158787086
4,4,5,5-tetramethyl-2-[2,4,5-tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane
CID 66897544
2-(aminooxymethyl)-1H-indol-5-ol
CID 117195343

Frequently Asked Questions

What is the IUPAC name of 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indol-5-ol?
The IUPAC name of 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indol-5-ol (CID 155672392) is 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indol-5-ol.
What is the SMILES notation for 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indol-5-ol?
The canonical SMILES for 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indol-5-ol is CC1(C)OB(c2cc3cc(O)ccc3[nH]2)OC1(C)C.
What is the InChIKey of 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indol-5-ol?
The InChIKey is SYGXOVJEYNJADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BNO3/c1-13(2)14(3,4)19-15(18-13)12-8-9-7-10(17)5-6-11(9)16-12/h5-8,16-17H,1-4H3.
What are the key properties of 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indol-5-ol?
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indol-5-ol has a molecular weight of 259.11 g/mol, XLogP of 2.17, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indol-5-ol is sourced from PubChem (CID 155672392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).