CID 164799813

C15H16BO2 — CID 164799813

IUPAC—
SMILESCc1cc(C)c(-c2ccc(O[B]O)cc2)c(C)c1
InChIInChI=1S/C15H16BO2/c1-10-8-11(2)15(12(3)9-10)13-4-6-14(7-5-13)18-16-17/h4-9,17H,1-3H3
InChIKeyIBOPTGGKPPXGMZ-UHFFFAOYSA-N
MW239.10 g/mol
LogP3.18
Rot. Bonds3

About CID 164799813

CID 164799813 (PubChem CID 164799813) has the molecular formula C15H16BO2 and a molecular weight of 239.10 g/mol.

Molecular Properties

Compound NameCID 164799813
PubChem CID164799813
Molecular FormulaC15H16BO2
Molecular Weight239.10 g/mol
Exact Mass239.12
IUPAC Name—
SMILESCc1cc(C)c(-c2ccc(O[B]O)cc2)c(C)c1
InChIInChI=1S/C15H16BO2/c1-10-8-11(2)15(12(3)9-10)13-4-6-14(7-5-13)18-16-17/h4-9,17H,1-3H3
InChIKeyIBOPTGGKPPXGMZ-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 164799813?
The IUPAC name of CID 164799813 (CID 164799813) is not available.
What is the SMILES notation for CID 164799813?
The canonical SMILES for CID 164799813 is Cc1cc(C)c(-c2ccc(O[B]O)cc2)c(C)c1.
What is the InChIKey of CID 164799813?
The InChIKey is IBOPTGGKPPXGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BO2/c1-10-8-11(2)15(12(3)9-10)13-4-6-14(7-5-13)18-16-17/h4-9,17H,1-3H3.
What are the key properties of CID 164799813?
CID 164799813 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 164799813 is sourced from PubChem (CID 164799813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).