CID 123774225

C14H21B — CID 123774225

IUPAC—
SMILES[B]C(C)(CC)c1ccc(C(C)CC)cc1
InChIInChI=1S/C14H21B/c1-5-11(3)12-7-9-13(10-8-12)14(4,15)6-2/h7-11H,5-6H2,1-4H3
InChIKeyQRZVAIUAQDWNMJ-UHFFFAOYSA-N
MW200.13 g/mol
LogP3.99
Rot. Bonds4

About CID 123774225

CID 123774225 (PubChem CID 123774225) has the molecular formula C14H21B and a molecular weight of 200.13 g/mol.

Molecular Properties

Compound NameCID 123774225
PubChem CID123774225
Molecular FormulaC14H21B
Molecular Weight200.13 g/mol
Exact Mass200.17
IUPAC Name—
SMILES[B]C(C)(CC)c1ccc(C(C)CC)cc1
InChIInChI=1S/C14H21B/c1-5-11(3)12-7-9-13(10-8-12)14(4,15)6-2/h7-11H,5-6H2,1-4H3
InChIKeyQRZVAIUAQDWNMJ-UHFFFAOYSA-N
XLogP3.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.13
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 123774225 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

1-butan-2-yl-4-(2-methylbutan-2-yl)benzene
CID 54072029
2-(4-butan-2-ylphenyl)-2-methylpropan-1-amine
CID 82077217
1-butan-2-yl-4-(1-chloro-2,2-dimethylbutyl)benzene
CID 63429913
1-butan-2-yl-4-tert-butylbenzene;2,2-dimethylbutanoic acid
CID 158163672
1-(4-butan-2-ylphenyl)-2-methylpropan-2-amine
CID 82126382
1-(4-butan-2-ylphenyl)-2-methylpropan-2-ol
CID 82126479
1-butan-2-yl-4-(4-methyl-4-phenylhexan-2-yl)benzene
CID 59456240
1-butan-2-yl-4-(1,1,1-trifluoro-2-methoxypropan-2-yl)benzene
CID 20771639
2-(4-butan-2-ylphenyl)-2,2-difluoroacetonitrile
CID 116840569
2-(4-butan-2-ylphenyl)-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)propan-2-ol
CID 162348435
1-(4-butan-2-ylphenyl)-1-(dimethylamino)-2-methylpropan-2-ol
CID 116911318
2-butan-2-yl-7-(2-methylbutan-2-yl)phenanthrene
CID 143619990

Frequently Asked Questions

What is the IUPAC name of CID 123774225?
The IUPAC name of CID 123774225 (CID 123774225) is not available.
What is the SMILES notation for CID 123774225?
The canonical SMILES for CID 123774225 is [B]C(C)(CC)c1ccc(C(C)CC)cc1.
What is the InChIKey of CID 123774225?
The InChIKey is QRZVAIUAQDWNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21B/c1-5-11(3)12-7-9-13(10-8-12)14(4,15)6-2/h7-11H,5-6H2,1-4H3.
What are the key properties of CID 123774225?
CID 123774225 has a molecular weight of 200.13 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123774225 is sourced from PubChem (CID 123774225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).