1-(1-bromooctyl)-4-methylbenzene

C15H23Br — CID 63437569

IUPAC1-(1-bromooctyl)-4-methylbenzene
SMILESCCCCCCCC(Br)c1ccc(C)cc1
InChIInChI=1S/C15H23Br/c1-3-4-5-6-7-8-15(16)14-11-9-13(2)10-12-14/h9-12,15H,3-8H2,1-2H3
InChIKeyALVRJBFACJOXOK-UHFFFAOYSA-N
MW283.25 g/mol
LogP5.79
Rot. Bonds7

About 1-(1-bromooctyl)-4-methylbenzene

1-(1-bromooctyl)-4-methylbenzene (PubChem CID 63437569) has the molecular formula C15H23Br and a molecular weight of 283.25 g/mol. Its IUPAC name is 1-(1-bromooctyl)-4-methylbenzene.

Molecular Properties

Compound Name1-(1-bromooctyl)-4-methylbenzene
PubChem CID63437569
Molecular FormulaC15H23Br
Molecular Weight283.25 g/mol
Exact Mass282.10
IUPAC Name1-(1-bromooctyl)-4-methylbenzene
SMILESCCCCCCCC(Br)c1ccc(C)cc1
InChIInChI=1S/C15H23Br/c1-3-4-5-6-7-8-15(16)14-11-9-13(2)10-12-14/h9-12,15H,3-8H2,1-2H3
InChIKeyALVRJBFACJOXOK-UHFFFAOYSA-N
XLogP5.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.25
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(1-bromodecyl)-4-propan-2-ylbenzene
CID 65426216
1-(1-bromoheptyl)-4-chlorobenzene
CID 114753552
1-(1-bromododecyl)-4-fluorobenzene
CID 65427740
1-(1-bromoheptyl)-4-butylbenzene
CID 114753581
1-(1-bromononyl)-4-butan-2-ylbenzene
CID 65426772
1-(1-bromoheptyl)-4-propylbenzene
CID 114753586
1-(1-bromohexyl)-4-ethylbenzene
CID 63440069
1-(1-bromohexyl)-4-fluorobenzene
CID 63439344
1-methyl-4-undecan-6-ylbenzene
CID 54207407
1-(1-chloroheptyl)-4-methylbenzene
CID 114753474
1-(1-bromoheptyl)-4-phenoxybenzene
CID 114753560
1-(1-bromodecyl)-4-(2-methoxyethyl)benzene
CID 65428907

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromooctyl)-4-methylbenzene?
The IUPAC name of 1-(1-bromooctyl)-4-methylbenzene (CID 63437569) is 1-(1-bromooctyl)-4-methylbenzene.
What is the SMILES notation for 1-(1-bromooctyl)-4-methylbenzene?
The canonical SMILES for 1-(1-bromooctyl)-4-methylbenzene is CCCCCCCC(Br)c1ccc(C)cc1.
What is the InChIKey of 1-(1-bromooctyl)-4-methylbenzene?
The InChIKey is ALVRJBFACJOXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Br/c1-3-4-5-6-7-8-15(16)14-11-9-13(2)10-12-14/h9-12,15H,3-8H2,1-2H3.
What are the key properties of 1-(1-bromooctyl)-4-methylbenzene?
1-(1-bromooctyl)-4-methylbenzene has a molecular weight of 283.25 g/mol, XLogP of 5.79, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromooctyl)-4-methylbenzene is sourced from PubChem (CID 63437569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).