CID 160733224

C15H16BO2 — CID 160733224

IUPAC—
SMILESCc1cc(C)c(-c2cccc(O[B]O)c2)c(C)c1
InChIInChI=1S/C15H16BO2/c1-10-7-11(2)15(12(3)8-10)13-5-4-6-14(9-13)18-16-17/h4-9,17H,1-3H3
InChIKeyVPRWKTSAGWUMFG-UHFFFAOYSA-N
MW239.10 g/mol
LogP3.18
Rot. Bonds3

About CID 160733224

CID 160733224 (PubChem CID 160733224) has the molecular formula C15H16BO2 and a molecular weight of 239.10 g/mol.

Molecular Properties

Compound NameCID 160733224
PubChem CID160733224
Molecular FormulaC15H16BO2
Molecular Weight239.10 g/mol
Exact Mass239.12
IUPAC Name—
SMILESCc1cc(C)c(-c2cccc(O[B]O)c2)c(C)c1
InChIInChI=1S/C15H16BO2/c1-10-7-11(2)15(12(3)8-10)13-5-4-6-14(9-13)18-16-17/h4-9,17H,1-3H3
InChIKeyVPRWKTSAGWUMFG-UHFFFAOYSA-N
XLogP3.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.10
LogP ≤ 53.18
H-Bond Donors ≤ 51
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 160733224?
The IUPAC name of CID 160733224 (CID 160733224) is not available.
What is the SMILES notation for CID 160733224?
The canonical SMILES for CID 160733224 is Cc1cc(C)c(-c2cccc(O[B]O)c2)c(C)c1.
What is the InChIKey of CID 160733224?
The InChIKey is VPRWKTSAGWUMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BO2/c1-10-7-11(2)15(12(3)8-10)13-5-4-6-14(9-13)18-16-17/h4-9,17H,1-3H3.
What are the key properties of CID 160733224?
CID 160733224 has a molecular weight of 239.10 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 160733224 is sourced from PubChem (CID 160733224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).