naphtho[1,2-b][1]benzofuran-4-ylboronic acid

C16H11BO3 — CID 142752835

IUPACnaphtho[1,2-b][1]benzofuran-4-ylboronic acid
SMILESOB(O)c1cccc2c1ccc1c3ccccc3oc21
InChIInChI=1S/C16H11BO3/c18-17(19)14-6-3-5-12-10(14)8-9-13-11-4-1-2-7-15(11)20-16(12)13/h1-9,18-19H
InChIKeyAVVRKZSCDOAZKF-UHFFFAOYSA-N
MW262.07 g/mol
LogP2.42
Rot. Bonds1

About naphtho[1,2-b][1]benzofuran-4-ylboronic acid

naphtho[1,2-b][1]benzofuran-4-ylboronic acid (PubChem CID 142752835) has the molecular formula C16H11BO3 and a molecular weight of 262.07 g/mol. Its IUPAC name is naphtho[1,2-b][1]benzofuran-4-ylboronic acid.

Molecular Properties

Compound Namenaphtho[1,2-b][1]benzofuran-4-ylboronic acid
PubChem CID142752835
Molecular FormulaC16H11BO3
Molecular Weight262.07 g/mol
Exact Mass262.08
IUPAC Namenaphtho[1,2-b][1]benzofuran-4-ylboronic acid
SMILESOB(O)c1cccc2c1ccc1c3ccccc3oc21
InChIInChI=1S/C16H11BO3/c18-17(19)14-6-3-5-12-10(14)8-9-13-11-4-1-2-7-15(11)20-16(12)13/h1-9,18-19H
InChIKeyAVVRKZSCDOAZKF-UHFFFAOYSA-N
XLogP2.42
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.07
LogP ≤ 52.42
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

(4-dibenzofuran-4-ylnaphthalen-1-yl)boronic acid
CID 155730533
5-(3-bromophenyl)naphtho[1,2-b][1]benzofuran;naphtho[1,2-b][1]benzofuran-5-ylboronic acid
CID 161013729
(6-dibenzofuran-4-yldibenzothiophen-4-yl)boronic acid
CID 162462207
(8-bromodibenzofuran-4-yl)boronic acid
CID 142752650
4-bromoaniline;4-(4-dibenzofuran-4-ylnaphthalen-1-yl)aniline;(4-dibenzofuran-4-ylnaphthalen-1-yl)boronic acid
CID 167676389
(3-formyldibenzofuran-4-yl)boronic acid
CID 142742375
dibenzofuran-4-yl(trimethyl)silane
CID 10752569
(6-propan-2-yldibenzofuran-1-yl)boronic acid
CID 140857097
1-dibenzofuran-4-ylethanone
CID 15691981
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
N-ethyl-N-phenylnaphtho[1,2-b][1]benzofuran-4-amine
CID 126701340
N,N-di(dibenzofuran-4-yl)naphtho[1,2-b][1]benzofuran-10-amine
CID 168804104

Frequently Asked Questions

What is the IUPAC name of naphtho[1,2-b][1]benzofuran-4-ylboronic acid?
The IUPAC name of naphtho[1,2-b][1]benzofuran-4-ylboronic acid (CID 142752835) is naphtho[1,2-b][1]benzofuran-4-ylboronic acid.
What is the SMILES notation for naphtho[1,2-b][1]benzofuran-4-ylboronic acid?
The canonical SMILES for naphtho[1,2-b][1]benzofuran-4-ylboronic acid is OB(O)c1cccc2c1ccc1c3ccccc3oc21.
What is the InChIKey of naphtho[1,2-b][1]benzofuran-4-ylboronic acid?
The InChIKey is AVVRKZSCDOAZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BO3/c18-17(19)14-6-3-5-12-10(14)8-9-13-11-4-1-2-7-15(11)20-16(12)13/h1-9,18-19H.
What are the key properties of naphtho[1,2-b][1]benzofuran-4-ylboronic acid?
naphtho[1,2-b][1]benzofuran-4-ylboronic acid has a molecular weight of 262.07 g/mol, XLogP of 2.42, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphtho[1,2-b][1]benzofuran-4-ylboronic acid is sourced from PubChem (CID 142752835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).