dichloro-[(E)-2-(4-methylphenyl)ethenyl]borane

C9H9BCl2 — CID 134890605

IUPACdichloro-[(E)-2-(4-methylphenyl)ethenyl]borane
SMILESCc1ccc(/C=C/B(Cl)Cl)cc1
InChIInChI=1S/C9H9BCl2/c1-8-2-4-9(5-3-8)6-7-10(11)12/h2-7H,1H3/b7-6+
InChIKeyXFHGSFAYMUUSHP-VOTSOKGWSA-N
MW198.89 g/mol
LogP3.51
Rot. Bonds2

About dichloro-[(E)-2-(4-methylphenyl)ethenyl]borane

dichloro-[(E)-2-(4-methylphenyl)ethenyl]borane (PubChem CID 134890605) has the molecular formula C9H9BCl2 and a molecular weight of 198.89 g/mol. Its IUPAC name is dichloro-[(E)-2-(4-methylphenyl)ethenyl]borane.

Molecular Properties

Compound Namedichloro-[(E)-2-(4-methylphenyl)ethenyl]borane
PubChem CID134890605
Molecular FormulaC9H9BCl2
Molecular Weight198.89 g/mol
Exact Mass198.02
IUPAC Namedichloro-[(E)-2-(4-methylphenyl)ethenyl]borane
SMILESCc1ccc(/C=C/B(Cl)Cl)cc1
InChIInChI=1S/C9H9BCl2/c1-8-2-4-9(5-3-8)6-7-10(11)12/h2-7H,1H3/b7-6+
InChIKeyXFHGSFAYMUUSHP-VOTSOKGWSA-N
XLogP3.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.89
LogP ≤ 53.51
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

ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 91206086
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 90770914
1-chloro-4-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]benzene
CID 20730510
diethoxy-[(E)-2-(4-methylphenyl)ethenyl]borane
CID 135076379
methane;1-methyl-4-[(E)-2-phenylethenyl]benzene
CID 144677664
1,2-dichloro-4-[(Z)-2-(4-methylphenyl)ethenyl]benzene
CID 129289672
4-[(E)-2-(4-methylphenyl)ethenyl]pyridin-1-ium
CID 102059663
1,3-dichloro-2-[(E)-2-(4-methylphenyl)ethenyl]benzene
CID 118370759
[(E)-2-[4-[(E)-2-bis(2,4,6-trimethylphenyl)boranylethenyl]phenyl]ethenyl]-bis(2,4,6-trimethylphenyl)borane
CID 101364649
4-[(1E,3E)-4-(4-methylphenyl)buta-1,3-dienyl]aniline
CID 89165666
N-methyl-4-[2-(4-methylphenyl)ethenyl]-N-[4-[2-(4-methylphenyl)ethenyl]phenyl]aniline
CID 72543320
1,2,3-trimethyl-5-[(E)-2-(4-methylphenyl)ethenyl]benzene
CID 141387094

Frequently Asked Questions

What is the IUPAC name of dichloro-[(E)-2-(4-methylphenyl)ethenyl]borane?
The IUPAC name of dichloro-[(E)-2-(4-methylphenyl)ethenyl]borane (CID 134890605) is dichloro-[(E)-2-(4-methylphenyl)ethenyl]borane.
What is the SMILES notation for dichloro-[(E)-2-(4-methylphenyl)ethenyl]borane?
The canonical SMILES for dichloro-[(E)-2-(4-methylphenyl)ethenyl]borane is Cc1ccc(/C=C/B(Cl)Cl)cc1.
What is the InChIKey of dichloro-[(E)-2-(4-methylphenyl)ethenyl]borane?
The InChIKey is XFHGSFAYMUUSHP-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H9BCl2/c1-8-2-4-9(5-3-8)6-7-10(11)12/h2-7H,1H3/b7-6+.
What are the key properties of dichloro-[(E)-2-(4-methylphenyl)ethenyl]borane?
dichloro-[(E)-2-(4-methylphenyl)ethenyl]borane has a molecular weight of 198.89 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-[(E)-2-(4-methylphenyl)ethenyl]borane is sourced from PubChem (CID 134890605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).