2-bromo-1-(1-bromo-2-cyclohexylethyl)-4-methoxybenzene

C15H20Br2O — CID 63443650

IUPAC2-bromo-1-(1-bromo-2-cyclohexylethyl)-4-methoxybenzene
SMILESCOc1ccc(C(Br)CC2CCCCC2)c(Br)c1
InChIInChI=1S/C15H20Br2O/c1-18-12-7-8-13(15(17)10-12)14(16)9-11-5-3-2-4-6-11/h7-8,10-11,14H,2-6,9H2,1H3
InChIKeyQULCBMQRUZVFAD-UHFFFAOYSA-N
MW376.13 g/mol
LogP5.86
Rot. Bonds4

About 2-bromo-1-(1-bromo-2-cyclohexylethyl)-4-methoxybenzene

2-bromo-1-(1-bromo-2-cyclohexylethyl)-4-methoxybenzene (PubChem CID 63443650) has the molecular formula C15H20Br2O and a molecular weight of 376.13 g/mol. Its IUPAC name is 2-bromo-1-(1-bromo-2-cyclohexylethyl)-4-methoxybenzene.

Molecular Properties

Compound Name2-bromo-1-(1-bromo-2-cyclohexylethyl)-4-methoxybenzene
PubChem CID63443650
Molecular FormulaC15H20Br2O
Molecular Weight376.13 g/mol
Exact Mass373.99
IUPAC Name2-bromo-1-(1-bromo-2-cyclohexylethyl)-4-methoxybenzene
SMILESCOc1ccc(C(Br)CC2CCCCC2)c(Br)c1
InChIInChI=1S/C15H20Br2O/c1-18-12-7-8-13(15(17)10-12)14(16)9-11-5-3-2-4-6-11/h7-8,10-11,14H,2-6,9H2,1H3
InChIKeyQULCBMQRUZVFAD-UHFFFAOYSA-N
XLogP5.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.13
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-1-(1-bromo-3-cyclohexylpropyl)-4-methoxybenzene
CID 63443780
[bromo-(2-bromo-4-methoxyphenyl)methyl]cyclooctane
CID 65021185
1-(2-bromo-4-methoxyphenyl)-2-cycloheptyl-N-ethylethanamine
CID 114457634
1-(2-bromo-4-methoxyphenyl)-2-cyclobutylethanol
CID 103165431
2-bromo-1-[bromo(cyclobutyl)methyl]-4-methoxybenzene
CID 63443524
1-(1-bromo-2-cyclobutylethyl)-4-methoxybenzene
CID 103165731
N-[(2-bromo-4-methoxyphenyl)-cyclohexylmethyl]ethanamine
CID 60787800
1-(2-bromo-3-cyclohexylpropyl)-4-methoxybenzene
CID 63544491
[2-bromo-2-(2-fluoro-4,5-dimethoxyphenyl)ethyl]cycloheptane
CID 114458761
[2-bromo-3-(3-methoxyphenyl)propyl]cycloheptane
CID 114458981
1-(2-bromo-5-methoxyphenyl)-2-cyclopentyl-N-ethylethanamine
CID 105138866
2-bromo-1-(1-chloro-2,2-dicyclopropylethyl)-4-methoxybenzene
CID 112745100

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(1-bromo-2-cyclohexylethyl)-4-methoxybenzene?
The IUPAC name of 2-bromo-1-(1-bromo-2-cyclohexylethyl)-4-methoxybenzene (CID 63443650) is 2-bromo-1-(1-bromo-2-cyclohexylethyl)-4-methoxybenzene.
What is the SMILES notation for 2-bromo-1-(1-bromo-2-cyclohexylethyl)-4-methoxybenzene?
The canonical SMILES for 2-bromo-1-(1-bromo-2-cyclohexylethyl)-4-methoxybenzene is COc1ccc(C(Br)CC2CCCCC2)c(Br)c1.
What is the InChIKey of 2-bromo-1-(1-bromo-2-cyclohexylethyl)-4-methoxybenzene?
The InChIKey is QULCBMQRUZVFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Br2O/c1-18-12-7-8-13(15(17)10-12)14(16)9-11-5-3-2-4-6-11/h7-8,10-11,14H,2-6,9H2,1H3.
What are the key properties of 2-bromo-1-(1-bromo-2-cyclohexylethyl)-4-methoxybenzene?
2-bromo-1-(1-bromo-2-cyclohexylethyl)-4-methoxybenzene has a molecular weight of 376.13 g/mol, XLogP of 5.86, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(1-bromo-2-cyclohexylethyl)-4-methoxybenzene is sourced from PubChem (CID 63443650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).