CID 19591298

C15H15BO — CID 19591298

IUPAC—
SMILES[B]OC(CC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H15BO/c1-2-15(17-16,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3
InChIKeyCZYCQFBYZZNQQS-UHFFFAOYSA-N
MW222.10 g/mol
LogP3.44
Rot. Bonds4

About CID 19591298

CID 19591298 (PubChem CID 19591298) has the molecular formula C15H15BO and a molecular weight of 222.10 g/mol.

Molecular Properties

Compound NameCID 19591298
PubChem CID19591298
Molecular FormulaC15H15BO
Molecular Weight222.10 g/mol
Exact Mass222.12
IUPAC Name—
SMILES[B]OC(CC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H15BO/c1-2-15(17-16,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3
InChIKeyCZYCQFBYZZNQQS-UHFFFAOYSA-N
XLogP3.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.10
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 19591298?
The IUPAC name of CID 19591298 (CID 19591298) is not available.
What is the SMILES notation for CID 19591298?
The canonical SMILES for CID 19591298 is [B]OC(CC)(c1ccccc1)c1ccccc1.
What is the InChIKey of CID 19591298?
The InChIKey is CZYCQFBYZZNQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BO/c1-2-15(17-16,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3.
What are the key properties of CID 19591298?
CID 19591298 has a molecular weight of 222.10 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 19591298 is sourced from PubChem (CID 19591298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).