CID 67500547

C24H14BO4 — CID 67500547

IUPAC—
SMILES[B](Oc1ccc2oc3ccccc3c2c1)Oc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C24H14BO4/c1-3-7-21-17(5-1)19-13-15(9-11-23(19)26-21)28-25-29-16-10-12-24-20(14-16)18-6-2-4-8-22(18)27-24/h1-14H
InChIKeyONXINYNYANZBPZ-UHFFFAOYSA-N
MW377.18 g/mol
LogP6.48
Rot. Bonds4

About CID 67500547

CID 67500547 (PubChem CID 67500547) has the molecular formula C24H14BO4 and a molecular weight of 377.18 g/mol.

Molecular Properties

Compound NameCID 67500547
PubChem CID67500547
Molecular FormulaC24H14BO4
Molecular Weight377.18 g/mol
Exact Mass377.10
IUPAC Name—
SMILES[B](Oc1ccc2oc3ccccc3c2c1)Oc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C24H14BO4/c1-3-7-21-17(5-1)19-13-15(9-11-23(19)26-21)28-25-29-16-10-12-24-20(14-16)18-6-2-4-8-22(18)27-24/h1-14H
InChIKeyONXINYNYANZBPZ-UHFFFAOYSA-N
XLogP6.48
TPSA44.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.18
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze CID 67500547 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-dibenzofuran-2-yl-8-dibenzofuran-2-yloxydibenzofuran
CID 90250402
dibenzofuran-2-yl hydrogen sulfite
CID 174423504
CID 157315536
CID 157315536
CID 170654330
CID 170654330
1-dibenzofuran-2-yloxydibenzofuran-2-ol
CID 135058246
CID 162013945
CID 162013945
dibenzofuran;hydrofluoride
CID 158307405
dibenzofuran;hydrate
CID 70610865
2-(6-bromohexoxy)dibenzofuran
CID 102246595
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
CID 90167817
CID 90167817
dibenzofuran-2-yl 3-methylbut-2-enoate
CID 30707785

Frequently Asked Questions

What is the IUPAC name of CID 67500547?
The IUPAC name of CID 67500547 (CID 67500547) is not available.
What is the SMILES notation for CID 67500547?
The canonical SMILES for CID 67500547 is [B](Oc1ccc2oc3ccccc3c2c1)Oc1ccc2oc3ccccc3c2c1.
What is the InChIKey of CID 67500547?
The InChIKey is ONXINYNYANZBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14BO4/c1-3-7-21-17(5-1)19-13-15(9-11-23(19)26-21)28-25-29-16-10-12-24-20(14-16)18-6-2-4-8-22(18)27-24/h1-14H.
What are the key properties of CID 67500547?
CID 67500547 has a molecular weight of 377.18 g/mol, XLogP of 6.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67500547 is sourced from PubChem (CID 67500547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).