CID 158475904

C12H9B5O3 — CID 158475904

IUPAC—
SMILESOB(O)c1ccc2c(c1)oc1ccccc12.[B]B([B])[B]
InChIInChI=1S/C12H9BO3.B4/c14-13(15)8-5-6-10-9-3-1-2-4-11(9)16-12(10)7-8;1-4(2)3/h1-7,14-15H;
InChIKeyFEKRPSOUCQPILY-UHFFFAOYSA-N
MW255.26 g/mol
LogP-0.26
Rot. Bonds1

About CID 158475904

CID 158475904 (PubChem CID 158475904) has the molecular formula C12H9B5O3 and a molecular weight of 255.26 g/mol.

Molecular Properties

Compound NameCID 158475904
PubChem CID158475904
Molecular FormulaC12H9B5O3
Molecular Weight255.26 g/mol
Exact Mass256.10
IUPAC Name—
SMILESOB(O)c1ccc2c(c1)oc1ccccc12.[B]B([B])[B]
InChIInChI=1S/C12H9BO3.B4/c14-13(15)8-5-6-10-9-3-1-2-4-11(9)16-12(10)7-8;1-4(2)3/h1-7,14-15H;
InChIKeyFEKRPSOUCQPILY-UHFFFAOYSA-N
XLogP-0.26
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 5-0.26
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

(7-dibenzofuran-2-yldibenzofuran-3-yl)boronic acid
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(6-dibenzofuran-2-ylnaphthalen-2-yl)boronic acid
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(4-dibenzofuran-3-yl-3,5-diphenylphenyl)boronic acid
CID 177108214
(8-dibenzofuran-4-yldibenzofuran-2-yl)boronic acid
CID 168908514
dibenzofuran;hydrofluoride
CID 158307405
dibenzofuran;hydrate
CID 70610865
(12-phenyl-[1]benzofuro[2,3-a]carbazol-2-yl)boronic acid
CID 171402621
10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene;ethane
CID 154692122
(8-carbazol-9-yldibenzofuran-2-yl)boronic acid
CID 89433899
dibenzofuran;molecular hydrogen
CID 173065186
dibenzofuran;dihydrate;dihydrochloride
CID 21327105
dibenzofuran-3-carboxylate
CID 51860493

Frequently Asked Questions

What is the IUPAC name of CID 158475904?
The IUPAC name of CID 158475904 (CID 158475904) is not available.
What is the SMILES notation for CID 158475904?
The canonical SMILES for CID 158475904 is OB(O)c1ccc2c(c1)oc1ccccc12.[B]B([B])[B].
What is the InChIKey of CID 158475904?
The InChIKey is FEKRPSOUCQPILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BO3.B4/c14-13(15)8-5-6-10-9-3-1-2-4-11(9)16-12(10)7-8;1-4(2)3/h1-7,14-15H;.
What are the key properties of CID 158475904?
CID 158475904 has a molecular weight of 255.26 g/mol, XLogP of -0.26, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158475904 is sourced from PubChem (CID 158475904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).