CID 89114448

C8H10BO — CID 89114448

IUPAC—
SMILESC[B]c1cccc(CO)c1
InChIInChI=1S/C8H10BO/c1-9-8-4-2-3-7(5-8)6-10/h2-5,10H,6H2,1H3
InChIKeyRVIPHPQDZKYSPK-UHFFFAOYSA-N
MW132.98 g/mol
LogP0.56
Rot. Bonds2

About CID 89114448

CID 89114448 (PubChem CID 89114448) has the molecular formula C8H10BO and a molecular weight of 132.98 g/mol.

Molecular Properties

Compound NameCID 89114448
PubChem CID89114448
Molecular FormulaC8H10BO
Molecular Weight132.98 g/mol
Exact Mass133.08
IUPAC Name—
SMILESC[B]c1cccc(CO)c1
InChIInChI=1S/C8H10BO/c1-9-8-4-2-3-7(5-8)6-10/h2-5,10H,6H2,1H3
InChIKeyRVIPHPQDZKYSPK-UHFFFAOYSA-N
XLogP0.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.98
LogP ≤ 50.56
H-Bond Donors ≤ 51
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 89114448?
The IUPAC name of CID 89114448 (CID 89114448) is not available.
What is the SMILES notation for CID 89114448?
The canonical SMILES for CID 89114448 is C[B]c1cccc(CO)c1.
What is the InChIKey of CID 89114448?
The InChIKey is RVIPHPQDZKYSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BO/c1-9-8-4-2-3-7(5-8)6-10/h2-5,10H,6H2,1H3.
What are the key properties of CID 89114448?
CID 89114448 has a molecular weight of 132.98 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89114448 is sourced from PubChem (CID 89114448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).