CID 143613494

C14H13B — CID 143613494

IUPAC—
SMILES[B]c1ccc(C)c(-c2ccccc2C)c1
InChIInChI=1S/C14H13B/c1-10-5-3-4-6-13(10)14-9-12(15)8-7-11(14)2/h3-9H,1-2H3
InChIKeyYQNQFUXPGWZKMA-UHFFFAOYSA-N
MW192.07 g/mol
LogP2.76
Rot. Bonds1

About CID 143613494

CID 143613494 (PubChem CID 143613494) has the molecular formula C14H13B and a molecular weight of 192.07 g/mol.

Molecular Properties

Compound NameCID 143613494
PubChem CID143613494
Molecular FormulaC14H13B
Molecular Weight192.07 g/mol
Exact Mass192.11
IUPAC Name—
SMILES[B]c1ccc(C)c(-c2ccccc2C)c1
InChIInChI=1S/C14H13B/c1-10-5-3-4-6-13(10)14-9-12(15)8-7-11(14)2/h3-9H,1-2H3
InChIKeyYQNQFUXPGWZKMA-UHFFFAOYSA-N
XLogP2.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.07
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethene;1-methyl-2-(2-methylphenyl)benzene
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1,4-bis[2-methyl-5-(2-methylphenyl)phenyl]-2,5-bis(2-methylphenyl)benzene
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1,4-dimethyl-2-(2-methylphenyl)benzene;methane;2-methylnaphthalene
CID 143438669
butane;1,4-dimethyl-2-(2-methylphenyl)benzene
CID 142975298
dimethylsilane;1-methyl-2-(2-methylphenyl)benzene
CID 162166796
1-methyl-4-[2-methyl-3-(2-methylphenyl)phenyl]-2-(2-methylphenyl)benzene
CID 144952887
1-methyl-2-(2-methylphenyl)-4-(3-phenylphenyl)benzene
CID 143578929
ethane;1-methyl-2-(2-methylphenyl)-4-[(E)-prop-1-enyl]benzene
CID 90727526
CID 123714778
CID 123714778
1-methyl-2-(2-methylphenyl)-4-(trifluoromethoxy)benzene
CID 143206169
ethane;1,3,5-tris(2-methylphenyl)benzene
CID 157145659
carbonic acid;1-methyl-2-(2-methylphenyl)benzene
CID 67741238

Frequently Asked Questions

What is the IUPAC name of CID 143613494?
The IUPAC name of CID 143613494 (CID 143613494) is not available.
What is the SMILES notation for CID 143613494?
The canonical SMILES for CID 143613494 is [B]c1ccc(C)c(-c2ccccc2C)c1.
What is the InChIKey of CID 143613494?
The InChIKey is YQNQFUXPGWZKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13B/c1-10-5-3-4-6-13(10)14-9-12(15)8-7-11(14)2/h3-9H,1-2H3.
What are the key properties of CID 143613494?
CID 143613494 has a molecular weight of 192.07 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 143613494 is sourced from PubChem (CID 143613494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).