CID 88536732

C12H7BO — CID 88536732

IUPAC—
SMILES[B]c1cccc2oc3ccccc3c12
InChIInChI=1S/C12H7BO/c13-9-5-3-7-11-12(9)8-4-1-2-6-10(8)14-11/h1-7H
InChIKeyHGVQVSHFWYKOCV-UHFFFAOYSA-N
MW178.00 g/mol
LogP2.38
Rot. Bonds

About CID 88536732

CID 88536732 (PubChem CID 88536732) has the molecular formula C12H7BO and a molecular weight of 178.00 g/mol.

Molecular Properties

Compound NameCID 88536732
PubChem CID88536732
Molecular FormulaC12H7BO
Molecular Weight178.00 g/mol
Exact Mass178.06
IUPAC Name—
SMILES[B]c1cccc2oc3ccccc3c12
InChIInChI=1S/C12H7BO/c13-9-5-3-7-11-12(9)8-4-1-2-6-10(8)14-11/h1-7H
InChIKeyHGVQVSHFWYKOCV-UHFFFAOYSA-N
XLogP2.38
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.00
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 171736783
CID 171736783
dibenzofuran;hydrofluoride
CID 158307405
dibenzofuran;hydrate
CID 70610865
dibenzofuran;molecular hydrogen
CID 173065186
dibenzofuran;dihydrate;dihydrochloride
CID 21327105
CID 148500416
CID 148500416
dibenzofuran-1-ylmethanediol
CID 155121478
dibenzofuran-1-ylmethanethiol
CID 163683060
N-methyldibenzofuran-1-amine
CID 135277683
1-tert-butyldibenzofuran
CID 59078665
1-(3-dibenzofuran-1-ylphenyl)dibenzofuran
CID 170213719
ethane;1-propan-2-yldibenzofuran
CID 142343182

Frequently Asked Questions

What is the IUPAC name of CID 88536732?
The IUPAC name of CID 88536732 (CID 88536732) is not available.
What is the SMILES notation for CID 88536732?
The canonical SMILES for CID 88536732 is [B]c1cccc2oc3ccccc3c12.
What is the InChIKey of CID 88536732?
The InChIKey is HGVQVSHFWYKOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BO/c13-9-5-3-7-11-12(9)8-4-1-2-6-10(8)14-11/h1-7H.
What are the key properties of CID 88536732?
CID 88536732 has a molecular weight of 178.00 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88536732 is sourced from PubChem (CID 88536732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).