CID 140811984

C15H16BO2 — CID 140811984

IUPAC—
SMILESCc1cc(C)c(-c2ccccc2)c(C)c1O[B]O
InChIInChI=1S/C15H16BO2/c1-10-9-11(2)15(18-16-17)12(3)14(10)13-7-5-4-6-8-13/h4-9,17H,1-3H3
InChIKeyLRDPUCOETUIDNP-UHFFFAOYSA-N
MW239.10 g/mol
LogP3.18
Rot. Bonds3

About CID 140811984

CID 140811984 (PubChem CID 140811984) has the molecular formula C15H16BO2 and a molecular weight of 239.10 g/mol.

Molecular Properties

Compound NameCID 140811984
PubChem CID140811984
Molecular FormulaC15H16BO2
Molecular Weight239.10 g/mol
Exact Mass239.12
IUPAC Name—
SMILESCc1cc(C)c(-c2ccccc2)c(C)c1O[B]O
InChIInChI=1S/C15H16BO2/c1-10-9-11(2)15(18-16-17)12(3)14(10)13-7-5-4-6-8-13/h4-9,17H,1-3H3
InChIKeyLRDPUCOETUIDNP-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 140811984?
The IUPAC name of CID 140811984 (CID 140811984) is not available.
What is the SMILES notation for CID 140811984?
The canonical SMILES for CID 140811984 is Cc1cc(C)c(-c2ccccc2)c(C)c1O[B]O.
What is the InChIKey of CID 140811984?
The InChIKey is LRDPUCOETUIDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BO2/c1-10-9-11(2)15(18-16-17)12(3)14(10)13-7-5-4-6-8-13/h4-9,17H,1-3H3.
What are the key properties of CID 140811984?
CID 140811984 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 140811984 is sourced from PubChem (CID 140811984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).