bromozinc(1+);1-heptyl-4-phenylbenzene

C19H23BrZn — CID 146001623

IUPACbromozinc(1+);1-heptyl-4-phenylbenzene
SMILESCCCCCCCc1ccc(-c2cc[c-]cc2)cc1.[Zn+]Br
InChIInChI=1S/C19H23.BrH.Zn/c1-2-3-4-5-7-10-17-13-15-19(16-14-17)18-11-8-6-9-12-18;;/h8-9,11-16H,2-5,7,10H2,1H3;1H;/q-1;;+2/p-1
InChIKeyTXUTXDDXYNBSEX-UHFFFAOYSA-M
MW396.69 g/mol
LogP6.51
Rot. Bonds7

About bromozinc(1+);1-heptyl-4-phenylbenzene

bromozinc(1+);1-heptyl-4-phenylbenzene (PubChem CID 146001623) has the molecular formula C19H23BrZn and a molecular weight of 396.69 g/mol. Its IUPAC name is bromozinc(1+);1-heptyl-4-phenylbenzene.

Molecular Properties

Compound Namebromozinc(1+);1-heptyl-4-phenylbenzene
PubChem CID146001623
Molecular FormulaC19H23BrZn
Molecular Weight396.69 g/mol
Exact Mass394.03
IUPAC Namebromozinc(1+);1-heptyl-4-phenylbenzene
SMILESCCCCCCCc1ccc(-c2cc[c-]cc2)cc1.[Zn+]Br
InChIInChI=1S/C19H23.BrH.Zn/c1-2-3-4-5-7-10-17-13-15-19(16-14-17)18-11-8-6-9-12-18;;/h8-9,11-16H,2-5,7,10H2,1H3;1H;/q-1;;+2/p-1
InChIKeyTXUTXDDXYNBSEX-UHFFFAOYSA-M
XLogP6.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.69
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-octyl-4-(4-octylphenyl)benzene
CID 22766415
zinc hexylbenzene
CID 156642936
lithium dodecylbenzene
CID 134940671
nickel;nonylbenzene
CID 142762749
zinc;decylbenzene;chloride
CID 162030336
1-pentadecyl-4-phenylbenzene
CID 57166115
1-(4-pentylphenyl)-4-[2-(4-propylphenyl)ethyl]benzene
CID 19906985
1-heptyl-4-(4-propan-2-ylphenyl)benzene
CID 58842076
1-butyl-4-nonylbenzene
CID 59545302
1-(chloromethyl)-4-(4-nonylphenyl)benzene
CID 21284608
4-(4-octadecylphenyl)benzenethiol
CID 134936183
6-decyl-2-(6-decylazulen-2-yl)azulene
CID 177425014

Frequently Asked Questions

What is the IUPAC name of bromozinc(1+);1-heptyl-4-phenylbenzene?
The IUPAC name of bromozinc(1+);1-heptyl-4-phenylbenzene (CID 146001623) is bromozinc(1+);1-heptyl-4-phenylbenzene.
What is the SMILES notation for bromozinc(1+);1-heptyl-4-phenylbenzene?
The canonical SMILES for bromozinc(1+);1-heptyl-4-phenylbenzene is CCCCCCCc1ccc(-c2cc[c-]cc2)cc1.[Zn+]Br.
What is the InChIKey of bromozinc(1+);1-heptyl-4-phenylbenzene?
The InChIKey is TXUTXDDXYNBSEX-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H23.BrH.Zn/c1-2-3-4-5-7-10-17-13-15-19(16-14-17)18-11-8-6-9-12-18;;/h8-9,11-16H,2-5,7,10H2,1H3;1H;/q-1;;+2/p-1.
What are the key properties of bromozinc(1+);1-heptyl-4-phenylbenzene?
bromozinc(1+);1-heptyl-4-phenylbenzene has a molecular weight of 396.69 g/mol, XLogP of 6.51, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);1-heptyl-4-phenylbenzene is sourced from PubChem (CID 146001623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).