CID 88514856

C16H17B — CID 88514856

IUPAC—
SMILES[B]CC(c1ccccc1C)c1ccccc1C
InChIInChI=1S/C16H17B/c1-12-7-3-5-9-14(12)16(11-17)15-10-6-4-8-13(15)2/h3-10,16H,11H2,1-2H3
InChIKeyDHOXNIYCLIEGJQ-UHFFFAOYSA-N
MW220.12 g/mol
LogP4.02
Rot. Bonds3

About CID 88514856

CID 88514856 (PubChem CID 88514856) has the molecular formula C16H17B and a molecular weight of 220.12 g/mol.

Molecular Properties

Compound NameCID 88514856
PubChem CID88514856
Molecular FormulaC16H17B
Molecular Weight220.12 g/mol
Exact Mass220.14
IUPAC Name—
SMILES[B]CC(c1ccccc1C)c1ccccc1C
InChIInChI=1S/C16H17B/c1-12-7-3-5-9-14(12)16(11-17)15-10-6-4-8-13(15)2/h3-10,16H,11H2,1-2H3
InChIKeyDHOXNIYCLIEGJQ-UHFFFAOYSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.12
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 88514856 with MolForge

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

Launch Full Analysis

Related Compounds

CID 88515182
CID 88515182
1-ethyl-2-[1-(2-methylphenyl)propyl]benzene
CID 18968346
[3-chloro-2-(2-methylphenyl)propyl]-trimethylsilane
CID 106324212
1-(1-bromo-3-phenylpropan-2-yl)-2-methylbenzene
CID 79418449
1-methyl-2-(1-nitroethyl)benzene
CID 15573827
1-methyl-10-pentan-2-ylcyclodeca-1,3,5,7,9-pentaene
CID 123216377
1-methyl-2-(1-phenylpropan-2-yl)benzene
CID 22356709
bis(1-methyl-2-propan-2-ylbenzene);toluene
CID 162261210
CID 175409940
CID 175409940
CID 153322216
CID 153322216
1-[(1S)-4-bromo-1-phenylbutyl]-2-methylbenzene
CID 125465352
benzene;1,2-xylene
CID 161464493

Frequently Asked Questions

What is the IUPAC name of CID 88514856?
The IUPAC name of CID 88514856 (CID 88514856) is not available.
What is the SMILES notation for CID 88514856?
The canonical SMILES for CID 88514856 is [B]CC(c1ccccc1C)c1ccccc1C.
What is the InChIKey of CID 88514856?
The InChIKey is DHOXNIYCLIEGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17B/c1-12-7-3-5-9-14(12)16(11-17)15-10-6-4-8-13(15)2/h3-10,16H,11H2,1-2H3.
What are the key properties of CID 88514856?
CID 88514856 has a molecular weight of 220.12 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88514856 is sourced from PubChem (CID 88514856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).