(6-propan-2-yldibenzofuran-1-yl)boronic acid

C15H15BO3 — CID 140857097

IUPAC(6-propan-2-yldibenzofuran-1-yl)boronic acid
SMILESCC(C)c1cccc2c1oc1cccc(B(O)O)c12
InChIInChI=1S/C15H15BO3/c1-9(2)10-5-3-6-11-14-12(16(17)18)7-4-8-13(14)19-15(10)11/h3-9,17-18H,1-2H3
InChIKeyKLGXTCFFYXBZCN-UHFFFAOYSA-N
MW254.09 g/mol
LogP2.39
Rot. Bonds2

About (6-propan-2-yldibenzofuran-1-yl)boronic acid

(6-propan-2-yldibenzofuran-1-yl)boronic acid (PubChem CID 140857097) has the molecular formula C15H15BO3 and a molecular weight of 254.09 g/mol. Its IUPAC name is (6-propan-2-yldibenzofuran-1-yl)boronic acid.

Molecular Properties

Compound Name(6-propan-2-yldibenzofuran-1-yl)boronic acid
PubChem CID140857097
Molecular FormulaC15H15BO3
Molecular Weight254.09 g/mol
Exact Mass254.11
IUPAC Name(6-propan-2-yldibenzofuran-1-yl)boronic acid
SMILESCC(C)c1cccc2c1oc1cccc(B(O)O)c12
InChIInChI=1S/C15H15BO3/c1-9(2)10-5-3-6-11-14-12(16(17)18)7-4-8-13(14)19-15(10)11/h3-9,17-18H,1-2H3
InChIKeyKLGXTCFFYXBZCN-UHFFFAOYSA-N
XLogP2.39
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.09
LogP ≤ 52.39
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

naphtho[1,2-b][1]benzofuran-4-ylboronic acid
CID 142752835
ethane;1-propan-2-yldibenzofuran
CID 142343182
8-propan-2-yl-[1]benzofuro[2,3-c]pyridine
CID 139383147
1-bromo-6-naphthalen-1-yldibenzofuran;(6-naphthalen-1-yldibenzofuran-1-yl)boronic acid
CID 159775493
2-bromo-3-ethyl-7-propan-2-yl-1-benzofuran
CID 82379660
2-ethyl-7-propan-2-yl-1-benzofuran-3-ol
CID 91138149
21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-19-ylboronic acid
CID 140963803
4-hydroxy-3-methyl-8-propan-2-ylchromen-2-one
CID 143309874
(7-propan-2-yl-1-benzothiophen-3-yl)boronic acid
CID 166516935
4-methyl-8-propan-2-ylchromen-2-one
CID 71446036
4-[(2S)-butan-2-yl]dibenzofuran
CID 142504734
15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-2-ylboronic acid
CID 171405013

Frequently Asked Questions

What is the IUPAC name of (6-propan-2-yldibenzofuran-1-yl)boronic acid?
The IUPAC name of (6-propan-2-yldibenzofuran-1-yl)boronic acid (CID 140857097) is (6-propan-2-yldibenzofuran-1-yl)boronic acid.
What is the SMILES notation for (6-propan-2-yldibenzofuran-1-yl)boronic acid?
The canonical SMILES for (6-propan-2-yldibenzofuran-1-yl)boronic acid is CC(C)c1cccc2c1oc1cccc(B(O)O)c12.
What is the InChIKey of (6-propan-2-yldibenzofuran-1-yl)boronic acid?
The InChIKey is KLGXTCFFYXBZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BO3/c1-9(2)10-5-3-6-11-14-12(16(17)18)7-4-8-13(14)19-15(10)11/h3-9,17-18H,1-2H3.
What are the key properties of (6-propan-2-yldibenzofuran-1-yl)boronic acid?
(6-propan-2-yldibenzofuran-1-yl)boronic acid has a molecular weight of 254.09 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-propan-2-yldibenzofuran-1-yl)boronic acid is sourced from PubChem (CID 140857097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).