CID 89180295

C15H11BO2 — CID 89180295

IUPAC—
SMILES[B]c1cccc(C(=C)c2ccc3c(c2)OCO3)c1
InChIInChI=1S/C15H11BO2/c1-10(11-3-2-4-13(16)7-11)12-5-6-14-15(8-12)18-9-17-14/h2-8H,1,9H2
InChIKeyPAEAWEFAJLEPLJ-UHFFFAOYSA-N
MW234.06 g/mol
LogP2.27
Rot. Bonds2

About CID 89180295

CID 89180295 (PubChem CID 89180295) has the molecular formula C15H11BO2 and a molecular weight of 234.06 g/mol.

Molecular Properties

Compound NameCID 89180295
PubChem CID89180295
Molecular FormulaC15H11BO2
Molecular Weight234.06 g/mol
Exact Mass234.09
IUPAC Name—
SMILES[B]c1cccc(C(=C)c2ccc3c(c2)OCO3)c1
InChIInChI=1S/C15H11BO2/c1-10(11-3-2-4-13(16)7-11)12-5-6-14-15(8-12)18-9-17-14/h2-8H,1,9H2
InChIKeyPAEAWEFAJLEPLJ-UHFFFAOYSA-N
XLogP2.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.06
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 89180295?
The IUPAC name of CID 89180295 (CID 89180295) is not available.
What is the SMILES notation for CID 89180295?
The canonical SMILES for CID 89180295 is [B]c1cccc(C(=C)c2ccc3c(c2)OCO3)c1.
What is the InChIKey of CID 89180295?
The InChIKey is PAEAWEFAJLEPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BO2/c1-10(11-3-2-4-13(16)7-11)12-5-6-14-15(8-12)18-9-17-14/h2-8H,1,9H2.
What are the key properties of CID 89180295?
CID 89180295 has a molecular weight of 234.06 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89180295 is sourced from PubChem (CID 89180295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).