[bromo-(2,4-dichlorophenyl)methyl]cyclooctane

C15H19BrCl2 — CID 65021234

IUPAC[bromo-(2,4-dichlorophenyl)methyl]cyclooctane
SMILESClc1ccc(C(Br)C2CCCCCCC2)c(Cl)c1
InChIInChI=1S/C15H19BrCl2/c16-15(11-6-4-2-1-3-5-7-11)13-9-8-12(17)10-14(13)18/h8-11,15H,1-7H2
InChIKeyQIGZPDDEQOGSGH-UHFFFAOYSA-N
MW350.13 g/mol
LogP6.79
Rot. Bonds2

About [bromo-(2,4-dichlorophenyl)methyl]cyclooctane

[bromo-(2,4-dichlorophenyl)methyl]cyclooctane (PubChem CID 65021234) has the molecular formula C15H19BrCl2 and a molecular weight of 350.13 g/mol. Its IUPAC name is [bromo-(2,4-dichlorophenyl)methyl]cyclooctane.

Molecular Properties

Compound Name[bromo-(2,4-dichlorophenyl)methyl]cyclooctane
PubChem CID65021234
Molecular FormulaC15H19BrCl2
Molecular Weight350.13 g/mol
Exact Mass348.00
IUPAC Name[bromo-(2,4-dichlorophenyl)methyl]cyclooctane
SMILESClc1ccc(C(Br)C2CCCCCCC2)c(Cl)c1
InChIInChI=1S/C15H19BrCl2/c16-15(11-6-4-2-1-3-5-7-11)13-9-8-12(17)10-14(13)18/h8-11,15H,1-7H2
InChIKeyQIGZPDDEQOGSGH-UHFFFAOYSA-N
XLogP6.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.13
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[cyclohexyl-(2,4-dichlorophenyl)methyl]hydrazine
CID 105282000
3-amino-1-cyclohexyl-2-(2,4-dichlorophenyl)propan-1-ol
CID 65185454
3-amino-1-cyclooctyl-2-(2,4-dichlorophenyl)propan-1-ol
CID 65185302
2-[bromo(cyclopentyl)methyl]-4-chloro-1-methoxybenzene
CID 104546446
4-[bromo-(2,4-dichlorophenyl)methyl]-2-methyloxolane
CID 114826962
(1R,2S)-2-amino-1-cyclopentyl-2-(2,4-dichlorophenyl)ethanol;hydrochloride
CID 171162618
N-[1-(2,4-dichlorophenyl)ethyl]cyclooctanamine
CID 43078996
N-[cyclohexyl-(2,4-dichlorophenyl)methyl]ethanamine
CID 55195117
2-cyclohexyl-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 82936894
[bromo-(3,4-dichlorophenyl)methyl]cycloheptane
CID 63445197
(S)-(4-bromo-2-chlorophenyl)-cyclohexylmethanamine
CID 171223645
4-[bromo-(2,5-dichlorophenyl)methyl]oxane
CID 62905706

Frequently Asked Questions

What is the IUPAC name of [bromo-(2,4-dichlorophenyl)methyl]cyclooctane?
The IUPAC name of [bromo-(2,4-dichlorophenyl)methyl]cyclooctane (CID 65021234) is [bromo-(2,4-dichlorophenyl)methyl]cyclooctane.
What is the SMILES notation for [bromo-(2,4-dichlorophenyl)methyl]cyclooctane?
The canonical SMILES for [bromo-(2,4-dichlorophenyl)methyl]cyclooctane is Clc1ccc(C(Br)C2CCCCCCC2)c(Cl)c1.
What is the InChIKey of [bromo-(2,4-dichlorophenyl)methyl]cyclooctane?
The InChIKey is QIGZPDDEQOGSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrCl2/c16-15(11-6-4-2-1-3-5-7-11)13-9-8-12(17)10-14(13)18/h8-11,15H,1-7H2.
What are the key properties of [bromo-(2,4-dichlorophenyl)methyl]cyclooctane?
[bromo-(2,4-dichlorophenyl)methyl]cyclooctane has a molecular weight of 350.13 g/mol, XLogP of 6.79, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [bromo-(2,4-dichlorophenyl)methyl]cyclooctane is sourced from PubChem (CID 65021234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).