(2-chlorophenyl)-phenyl-propan-2-ylborane

C15H16BCl — CID 67927318

IUPAC(2-chlorophenyl)-phenyl-propan-2-ylborane
SMILESCC(C)B(c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C15H16BCl/c1-12(2)16(13-8-4-3-5-9-13)14-10-6-7-11-15(14)17/h3-12H,1-2H3
InChIKeyBTXQLYZOPSFQFC-UHFFFAOYSA-N
MW242.56 g/mol
LogP3.36
Rot. Bonds3

About (2-chlorophenyl)-phenyl-propan-2-ylborane

(2-chlorophenyl)-phenyl-propan-2-ylborane (PubChem CID 67927318) has the molecular formula C15H16BCl and a molecular weight of 242.56 g/mol. Its IUPAC name is (2-chlorophenyl)-phenyl-propan-2-ylborane.

Molecular Properties

Compound Name(2-chlorophenyl)-phenyl-propan-2-ylborane
PubChem CID67927318
Molecular FormulaC15H16BCl
Molecular Weight242.56 g/mol
Exact Mass242.10
IUPAC Name(2-chlorophenyl)-phenyl-propan-2-ylborane
SMILESCC(C)B(c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C15H16BCl/c1-12(2)16(13-8-4-3-5-9-13)14-10-6-7-11-15(14)17/h3-12H,1-2H3
InChIKeyBTXQLYZOPSFQFC-UHFFFAOYSA-N
XLogP3.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.56
LogP ≤ 53.36
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

phenyl-propan-2-yl-(2-propylsulfanylphenyl)borane
CID 88515286
(2-chlorophenyl)-di(propan-2-yloxy)borane
CID 11299456
1-chloro-2-methylbenzene;2-methylpropane
CID 155693193
(2-chlorophenyl)-methoxyborinic acid
CID 90464358
phenyl(propan-2-yl)borinic acid
CID 89097943
bis(2-chlorophenyl)-prop-1-en-2-ylborane
CID 67927001
diphenyl(propan-2-yl)borane;5-propan-2-yl-1H-imidazole
CID 67927664
(1-chloro-2-fluoroethyl)-diphenylborane
CID 67927372
(2-chlorophenyl)methyl-[(1R)-1-phenylethyl]azanium
CID 6948605
2,6-dichloro-N-(1-phenylethyl)aniline
CID 65467797
1,2-dichlorobenzene;naphthalene
CID 162050769
(2-chlorophenyl)-ethynylborinic acid
CID 66935417

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-phenyl-propan-2-ylborane?
The IUPAC name of (2-chlorophenyl)-phenyl-propan-2-ylborane (CID 67927318) is (2-chlorophenyl)-phenyl-propan-2-ylborane.
What is the SMILES notation for (2-chlorophenyl)-phenyl-propan-2-ylborane?
The canonical SMILES for (2-chlorophenyl)-phenyl-propan-2-ylborane is CC(C)B(c1ccccc1)c1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)-phenyl-propan-2-ylborane?
The InChIKey is BTXQLYZOPSFQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BCl/c1-12(2)16(13-8-4-3-5-9-13)14-10-6-7-11-15(14)17/h3-12H,1-2H3.
What are the key properties of (2-chlorophenyl)-phenyl-propan-2-ylborane?
(2-chlorophenyl)-phenyl-propan-2-ylborane has a molecular weight of 242.56 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-phenyl-propan-2-ylborane is sourced from PubChem (CID 67927318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).