CID 22446374

C18H20BCl2 — CID 22446374

IUPAC—
SMILESCc1cc(C)c([B]c2c(C)cc(C)c(Cl)c2C)c(C)c1Cl
InChIInChI=1S/C18H20BCl2/c1-9-7-11(3)17(20)13(5)15(9)19-16-10(2)8-12(4)18(21)14(16)6/h7-8H,1-6H3
InChIKeyRZPFKYNHTNOKPV-UHFFFAOYSA-N
MW318.08 g/mol
LogP4.50
Rot. Bonds2

About CID 22446374

CID 22446374 (PubChem CID 22446374) has the molecular formula C18H20BCl2 and a molecular weight of 318.08 g/mol.

Molecular Properties

Compound NameCID 22446374
PubChem CID22446374
Molecular FormulaC18H20BCl2
Molecular Weight318.08 g/mol
Exact Mass317.10
IUPAC Name—
SMILESCc1cc(C)c([B]c2c(C)cc(C)c(Cl)c2C)c(C)c1Cl
InChIInChI=1S/C18H20BCl2/c1-9-7-11(3)17(20)13(5)15(9)19-16-10(2)8-12(4)18(21)14(16)6/h7-8H,1-6H3
InChIKeyRZPFKYNHTNOKPV-UHFFFAOYSA-N
XLogP4.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.08
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 22446374 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 22446374?
The IUPAC name of CID 22446374 (CID 22446374) is not available.
What is the SMILES notation for CID 22446374?
The canonical SMILES for CID 22446374 is Cc1cc(C)c([B]c2c(C)cc(C)c(Cl)c2C)c(C)c1Cl.
What is the InChIKey of CID 22446374?
The InChIKey is RZPFKYNHTNOKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BCl2/c1-9-7-11(3)17(20)13(5)15(9)19-16-10(2)8-12(4)18(21)14(16)6/h7-8H,1-6H3.
What are the key properties of CID 22446374?
CID 22446374 has a molecular weight of 318.08 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22446374 is sourced from PubChem (CID 22446374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).