CID 145477099

C15H9BO2 — CID 145477099

IUPAC—
SMILES[B]c1ccc(/C=C2\OC(=O)c3ccccc32)cc1
InChIInChI=1S/C15H9BO2/c16-11-7-5-10(6-8-11)9-14-12-3-1-2-4-13(12)15(17)18-14/h1-9H/b14-9-
InChIKeyGMRXJWPJGYDSFB-ZROIWOOFSA-N
MW232.05 g/mol
LogP2.15
Rot. Bonds1

About CID 145477099

CID 145477099 (PubChem CID 145477099) has the molecular formula C15H9BO2 and a molecular weight of 232.05 g/mol.

Molecular Properties

Compound NameCID 145477099
PubChem CID145477099
Molecular FormulaC15H9BO2
Molecular Weight232.05 g/mol
Exact Mass232.07
IUPAC Name—
SMILES[B]c1ccc(/C=C2\OC(=O)c3ccccc32)cc1
InChIInChI=1S/C15H9BO2/c16-11-7-5-10(6-8-11)9-14-12-3-1-2-4-13(12)15(17)18-14/h1-9H/b14-9-
InChIKeyGMRXJWPJGYDSFB-ZROIWOOFSA-N
XLogP2.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.05
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 145477099?
The IUPAC name of CID 145477099 (CID 145477099) is not available.
What is the SMILES notation for CID 145477099?
The canonical SMILES for CID 145477099 is [B]c1ccc(/C=C2\OC(=O)c3ccccc32)cc1.
What is the InChIKey of CID 145477099?
The InChIKey is GMRXJWPJGYDSFB-ZROIWOOFSA-N. The full InChI is InChI=1S/C15H9BO2/c16-11-7-5-10(6-8-11)9-14-12-3-1-2-4-13(12)15(17)18-14/h1-9H/b14-9-.
What are the key properties of CID 145477099?
CID 145477099 has a molecular weight of 232.05 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 145477099 is sourced from PubChem (CID 145477099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).