CID 174063143

C15H11B5O — CID 174063143

IUPAC—
SMILES[B]c1c([B])c([B])c(Oc2ccccc2C(C)C)c([B])c1[B]
InChIInChI=1S/C15H11B5O/c1-7(2)8-5-3-4-6-9(8)21-15-13(19)11(17)10(16)12(18)14(15)20/h3-7H,1-2H3
InChIKeyGFYZYWBGSIFKEA-UHFFFAOYSA-N
MW261.31 g/mol
LogP-1.43
Rot. Bonds3

About CID 174063143

CID 174063143 (PubChem CID 174063143) has the molecular formula C15H11B5O and a molecular weight of 261.31 g/mol.

Molecular Properties

Compound NameCID 174063143
PubChem CID174063143
Molecular FormulaC15H11B5O
Molecular Weight261.31 g/mol
Exact Mass262.13
IUPAC Name—
SMILES[B]c1c([B])c([B])c(Oc2ccccc2C(C)C)c([B])c1[B]
InChIInChI=1S/C15H11B5O/c1-7(2)8-5-3-4-6-9(8)21-15-13(19)11(17)10(16)12(18)14(15)20/h3-7H,1-2H3
InChIKeyGFYZYWBGSIFKEA-UHFFFAOYSA-N
XLogP-1.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 5-1.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 174063143?
The IUPAC name of CID 174063143 (CID 174063143) is not available.
What is the SMILES notation for CID 174063143?
The canonical SMILES for CID 174063143 is [B]c1c([B])c([B])c(Oc2ccccc2C(C)C)c([B])c1[B].
What is the InChIKey of CID 174063143?
The InChIKey is GFYZYWBGSIFKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11B5O/c1-7(2)8-5-3-4-6-9(8)21-15-13(19)11(17)10(16)12(18)14(15)20/h3-7H,1-2H3.
What are the key properties of CID 174063143?
CID 174063143 has a molecular weight of 261.31 g/mol, XLogP of -1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174063143 is sourced from PubChem (CID 174063143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).