1-bromo-3-[2-bromo-1-(2-ethylcyclohexyl)oxyethyl]benzene

C16H22Br2O — CID 55192868

IUPAC1-bromo-3-[2-bromo-1-(2-ethylcyclohexyl)oxyethyl]benzene
SMILESCCC1CCCCC1OC(CBr)c1cccc(Br)c1
InChIInChI=1S/C16H22Br2O/c1-2-12-6-3-4-9-15(12)19-16(11-17)13-7-5-8-14(18)10-13/h5,7-8,10,12,15-16H,2-4,6,9,11H2,1H3
InChIKeyQWHIXFYMWCUNKU-UHFFFAOYSA-N
MW390.16 g/mol
LogP5.87
Rot. Bonds5

About 1-bromo-3-[2-bromo-1-(2-ethylcyclohexyl)oxyethyl]benzene

1-bromo-3-[2-bromo-1-(2-ethylcyclohexyl)oxyethyl]benzene (PubChem CID 55192868) has the molecular formula C16H22Br2O and a molecular weight of 390.16 g/mol. Its IUPAC name is 1-bromo-3-[2-bromo-1-(2-ethylcyclohexyl)oxyethyl]benzene.

Molecular Properties

Compound Name1-bromo-3-[2-bromo-1-(2-ethylcyclohexyl)oxyethyl]benzene
PubChem CID55192868
Molecular FormulaC16H22Br2O
Molecular Weight390.16 g/mol
Exact Mass388.00
IUPAC Name1-bromo-3-[2-bromo-1-(2-ethylcyclohexyl)oxyethyl]benzene
SMILESCCC1CCCCC1OC(CBr)c1cccc(Br)c1
InChIInChI=1S/C16H22Br2O/c1-2-12-6-3-4-9-15(12)19-16(11-17)13-7-5-8-14(18)10-13/h5,7-8,10,12,15-16H,2-4,6,9,11H2,1H3
InChIKeyQWHIXFYMWCUNKU-UHFFFAOYSA-N
XLogP5.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.16
LogP ≤ 55.87
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

1-[2-bromo-1-(2-ethylcyclohexyl)oxyethyl]-3-fluorobenzene
CID 63468080
1-bromo-3-(2-bromo-1-cyclohexyloxyethyl)benzene
CID 63468801
1-bromo-3-(2-bromo-1-cyclopropyloxyethyl)benzene
CID 165495012
2-(3-bromophenyl)-2-(2-methylcyclohexyl)oxyethanamine
CID 55018005
1-[1-(2-ethylcyclohexyl)oxy-2-iodoethyl]-3-methoxybenzene
CID 114772754
1-bromo-3-(2-ethylcyclohexyl)oxybenzene
CID 63863406
[(1R)-2-bromo-1-(3-bromophenyl)ethoxy]-trimethylsilane
CID 129406642
1-(2-bromo-1-cyclopentyloxyethyl)-3-methoxybenzene
CID 62113881
1-bromo-3-[2-bromo-1-(2-butoxyethoxy)ethyl]benzene
CID 62107616
1-bromo-3-[2-bromo-1-(2-propoxyethoxy)ethyl]benzene
CID 63685610
1-bromo-3-(2-bromo-1-heptoxyethyl)benzene
CID 63474762
2-(3-bromophenyl)-2-(cyclopentylmethoxy)ethanamine
CID 66323008

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[2-bromo-1-(2-ethylcyclohexyl)oxyethyl]benzene?
The IUPAC name of 1-bromo-3-[2-bromo-1-(2-ethylcyclohexyl)oxyethyl]benzene (CID 55192868) is 1-bromo-3-[2-bromo-1-(2-ethylcyclohexyl)oxyethyl]benzene.
What is the SMILES notation for 1-bromo-3-[2-bromo-1-(2-ethylcyclohexyl)oxyethyl]benzene?
The canonical SMILES for 1-bromo-3-[2-bromo-1-(2-ethylcyclohexyl)oxyethyl]benzene is CCC1CCCCC1OC(CBr)c1cccc(Br)c1.
What is the InChIKey of 1-bromo-3-[2-bromo-1-(2-ethylcyclohexyl)oxyethyl]benzene?
The InChIKey is QWHIXFYMWCUNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Br2O/c1-2-12-6-3-4-9-15(12)19-16(11-17)13-7-5-8-14(18)10-13/h5,7-8,10,12,15-16H,2-4,6,9,11H2,1H3.
What are the key properties of 1-bromo-3-[2-bromo-1-(2-ethylcyclohexyl)oxyethyl]benzene?
1-bromo-3-[2-bromo-1-(2-ethylcyclohexyl)oxyethyl]benzene has a molecular weight of 390.16 g/mol, XLogP of 5.87, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[2-bromo-1-(2-ethylcyclohexyl)oxyethyl]benzene is sourced from PubChem (CID 55192868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).