CID 142381961

C9H11B — CID 142381961

IUPAC—
SMILES[B]C(C)c1cccc(C)c1
InChIInChI=1S/C9H11B/c1-7-4-3-5-9(6-7)8(2)10/h3-6,8H,1-2H3
InChIKeyAXVQLGRCDLXYIH-UHFFFAOYSA-N
MW130.00 g/mol
LogP2.22
Rot. Bonds1

About CID 142381961

CID 142381961 (PubChem CID 142381961) has the molecular formula C9H11B and a molecular weight of 130.00 g/mol.

Molecular Properties

Compound NameCID 142381961
PubChem CID142381961
Molecular FormulaC9H11B
Molecular Weight130.00 g/mol
Exact Mass130.10
IUPAC Name—
SMILES[B]C(C)c1cccc(C)c1
InChIInChI=1S/C9H11B/c1-7-4-3-5-9(6-7)8(2)10/h3-6,8H,1-2H3
InChIKeyAXVQLGRCDLXYIH-UHFFFAOYSA-N
XLogP2.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.00
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 142381961 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

ethane;1-methyl-3-propan-2-ylbenzene
CID 142020139
CID 156724864
CID 156724864
1-methyl-3-[1,2,2-tris(3-methylphenyl)ethyl]benzene
CID 117071538
hydrogen peroxide;bis(1-methyl-3-propan-2-ylbenzene)
CID 172708535
benzene;ethane;1-methyl-3-propan-2-ylbenzene
CID 143383161
1-(difluoromethyl)-3-methylbenzene;ethane;1,3-xylene
CID 177243602
[(1S)-1-(3-methylphenyl)ethyl]azanium chloride
CID 155931226
(1R)-2-methyl-1-(3-methylphenyl)propan-1-amine
CID 45072365
1-(1-hydroperoxyethyl)-3-methylbenzene
CID 131858292
(1R,2R)-1-(3-methylphenyl)propane-1,2-diol
CID 134966873
(3-methylphenyl)methanediamine;dihydrochloride
CID 67649251
3-methyl-2-(3-methylphenyl)butanoyl chloride
CID 23465341

Frequently Asked Questions

What is the IUPAC name of CID 142381961?
The IUPAC name of CID 142381961 (CID 142381961) is not available.
What is the SMILES notation for CID 142381961?
The canonical SMILES for CID 142381961 is [B]C(C)c1cccc(C)c1.
What is the InChIKey of CID 142381961?
The InChIKey is AXVQLGRCDLXYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11B/c1-7-4-3-5-9(6-7)8(2)10/h3-6,8H,1-2H3.
What are the key properties of CID 142381961?
CID 142381961 has a molecular weight of 130.00 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 142381961 is sourced from PubChem (CID 142381961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).