1-butyl-2-phenylbenzene;chlorosilane

C16H21ClSi — CID 157433440

IUPAC1-butyl-2-phenylbenzene;chlorosilane
SMILESCCCCc1ccccc1-c1ccccc1.[SiH3]Cl
InChIInChI=1S/C16H18.ClH3Si/c1-2-3-9-14-12-7-8-13-16(14)15-10-5-4-6-11-15;1-2/h4-8,10-13H,2-3,9H2,1H3;2H3
InChIKeyBQUXKQYHLGIUEN-UHFFFAOYSA-N
MW276.88 g/mol
LogP4.20
Rot. Bonds4

About 1-butyl-2-phenylbenzene;chlorosilane

1-butyl-2-phenylbenzene;chlorosilane (PubChem CID 157433440) has the molecular formula C16H21ClSi and a molecular weight of 276.88 g/mol. Its IUPAC name is 1-butyl-2-phenylbenzene;chlorosilane.

Molecular Properties

Compound Name1-butyl-2-phenylbenzene;chlorosilane
PubChem CID157433440
Molecular FormulaC16H21ClSi
Molecular Weight276.88 g/mol
Exact Mass276.11
IUPAC Name1-butyl-2-phenylbenzene;chlorosilane
SMILESCCCCc1ccccc1-c1ccccc1.[SiH3]Cl
InChIInChI=1S/C16H18.ClH3Si/c1-2-3-9-14-12-7-8-13-16(14)15-10-5-4-6-11-15;1-2/h4-8,10-13H,2-3,9H2,1H3;2H3
InChIKeyBQUXKQYHLGIUEN-UHFFFAOYSA-N
XLogP4.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.88
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-butyl-2-phenylbenzene;chlorosilane 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

gold;1-pentyl-2-phenylbenzene
CID 174945702
1-butyl-2-phenylbenzene;dihydroxy(oxo)phosphanium
CID 174532098
formonitrile;1-pentyl-2-phenylbenzene
CID 67877805
1-butyl-2-(4-methylphenyl)benzene
CID 58626581
1-phenyl-2-[3-(2-phenylphenyl)propyl]benzene
CID 57000067
carbonic acid;1-hexyl-2-phenylbenzene
CID 67180533
acetic acid;1-hexyl-2-phenylbenzene
CID 155168340
1-chloropentane;2-(2-phenylphenyl)ethanol
CID 174777739
1-butyl-2-phenylbenzene;2H-tetrazole
CID 174693123
1-butyl-2-(3-butylphenyl)benzene
CID 142022154
1-butyl-2-(3-methylphenyl)benzene
CID 174352877
1-propylazulene
CID 10397225

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-phenylbenzene;chlorosilane?
The IUPAC name of 1-butyl-2-phenylbenzene;chlorosilane (CID 157433440) is 1-butyl-2-phenylbenzene;chlorosilane.
What is the SMILES notation for 1-butyl-2-phenylbenzene;chlorosilane?
The canonical SMILES for 1-butyl-2-phenylbenzene;chlorosilane is CCCCc1ccccc1-c1ccccc1.[SiH3]Cl.
What is the InChIKey of 1-butyl-2-phenylbenzene;chlorosilane?
The InChIKey is BQUXKQYHLGIUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18.ClH3Si/c1-2-3-9-14-12-7-8-13-16(14)15-10-5-4-6-11-15;1-2/h4-8,10-13H,2-3,9H2,1H3;2H3.
What are the key properties of 1-butyl-2-phenylbenzene;chlorosilane?
1-butyl-2-phenylbenzene;chlorosilane has a molecular weight of 276.88 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-phenylbenzene;chlorosilane is sourced from PubChem (CID 157433440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).