1-bromo-4-[2-(2-ethylcyclohexyl)oxyethoxy]benzene

C16H23BrO2 — CID 55192995

IUPAC1-bromo-4-[2-(2-ethylcyclohexyl)oxyethoxy]benzene
SMILESCCC1CCCCC1OCCOc1ccc(Br)cc1
InChIInChI=1S/C16H23BrO2/c1-2-13-5-3-4-6-16(13)19-12-11-18-15-9-7-14(17)8-10-15/h7-10,13,16H,2-6,11-12H2,1H3
InChIKeyGFGZUIWLDMLZIA-UHFFFAOYSA-N
MW327.26 g/mol
LogP4.81
Rot. Bonds6

About 1-bromo-4-[2-(2-ethylcyclohexyl)oxyethoxy]benzene

1-bromo-4-[2-(2-ethylcyclohexyl)oxyethoxy]benzene (PubChem CID 55192995) has the molecular formula C16H23BrO2 and a molecular weight of 327.26 g/mol. Its IUPAC name is 1-bromo-4-[2-(2-ethylcyclohexyl)oxyethoxy]benzene.

Molecular Properties

Compound Name1-bromo-4-[2-(2-ethylcyclohexyl)oxyethoxy]benzene
PubChem CID55192995
Molecular FormulaC16H23BrO2
Molecular Weight327.26 g/mol
Exact Mass326.09
IUPAC Name1-bromo-4-[2-(2-ethylcyclohexyl)oxyethoxy]benzene
SMILESCCC1CCCCC1OCCOc1ccc(Br)cc1
InChIInChI=1S/C16H23BrO2/c1-2-13-5-3-4-6-16(13)19-12-11-18-15-9-7-14(17)8-10-15/h7-10,13,16H,2-6,11-12H2,1H3
InChIKeyGFGZUIWLDMLZIA-UHFFFAOYSA-N
XLogP4.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.26
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[2-(2-ethylcyclohexyl)oxyethoxy]benzene?
The IUPAC name of 1-bromo-4-[2-(2-ethylcyclohexyl)oxyethoxy]benzene (CID 55192995) is 1-bromo-4-[2-(2-ethylcyclohexyl)oxyethoxy]benzene.
What is the SMILES notation for 1-bromo-4-[2-(2-ethylcyclohexyl)oxyethoxy]benzene?
The canonical SMILES for 1-bromo-4-[2-(2-ethylcyclohexyl)oxyethoxy]benzene is CCC1CCCCC1OCCOc1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-[2-(2-ethylcyclohexyl)oxyethoxy]benzene?
The InChIKey is GFGZUIWLDMLZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrO2/c1-2-13-5-3-4-6-16(13)19-12-11-18-15-9-7-14(17)8-10-15/h7-10,13,16H,2-6,11-12H2,1H3.
What are the key properties of 1-bromo-4-[2-(2-ethylcyclohexyl)oxyethoxy]benzene?
1-bromo-4-[2-(2-ethylcyclohexyl)oxyethoxy]benzene has a molecular weight of 327.26 g/mol, XLogP of 4.81, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[2-(2-ethylcyclohexyl)oxyethoxy]benzene is sourced from PubChem (CID 55192995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).