CID 163533326

C15H16BO — CID 163533326

IUPAC—
SMILESCC1(C)c2cc([B]O)ccc2C2C=CC=CC21
InChIInChI=1S/C15H16BO/c1-15(2)13-6-4-3-5-11(13)12-8-7-10(16-17)9-14(12)15/h3-9,11,13,17H,1-2H3
InChIKeyHQELTXRHGOPHMI-UHFFFAOYSA-N
MW223.10 g/mol
LogP2.04
Rot. Bonds1

About CID 163533326

CID 163533326 (PubChem CID 163533326) has the molecular formula C15H16BO and a molecular weight of 223.10 g/mol.

Molecular Properties

Compound NameCID 163533326
PubChem CID163533326
Molecular FormulaC15H16BO
Molecular Weight223.10 g/mol
Exact Mass223.13
IUPAC Name—
SMILESCC1(C)c2cc([B]O)ccc2C2C=CC=CC21
InChIInChI=1S/C15H16BO/c1-15(2)13-6-4-3-5-11(13)12-8-7-10(16-17)9-14(12)15/h3-9,11,13,17H,1-2H3
InChIKeyHQELTXRHGOPHMI-UHFFFAOYSA-N
XLogP2.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.10
LogP ≤ 52.04
H-Bond Donors ≤ 51
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 163533326?
The IUPAC name of CID 163533326 (CID 163533326) is not available.
What is the SMILES notation for CID 163533326?
The canonical SMILES for CID 163533326 is CC1(C)c2cc([B]O)ccc2C2C=CC=CC21.
What is the InChIKey of CID 163533326?
The InChIKey is HQELTXRHGOPHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BO/c1-15(2)13-6-4-3-5-11(13)12-8-7-10(16-17)9-14(12)15/h3-9,11,13,17H,1-2H3.
What are the key properties of CID 163533326?
CID 163533326 has a molecular weight of 223.10 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163533326 is sourced from PubChem (CID 163533326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).