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

C16H23BrO — CID 63437137

IUPAC1-(1-bromo-2-cyclohexylethyl)-4-ethoxybenzene
SMILESCCOc1ccc(C(Br)CC2CCCCC2)cc1
InChIInChI=1S/C16H23BrO/c1-2-18-15-10-8-14(9-11-15)16(17)12-13-6-4-3-5-7-13/h8-11,13,16H,2-7,12H2,1H3
InChIKeyKWNQVKHLUHBDHK-UHFFFAOYSA-N
MW311.26 g/mol
LogP5.49
Rot. Bonds5

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

1-(1-bromo-2-cyclohexylethyl)-4-ethoxybenzene (PubChem CID 63437137) has the molecular formula C16H23BrO and a molecular weight of 311.26 g/mol. Its IUPAC name is 1-(1-bromo-2-cyclohexylethyl)-4-ethoxybenzene.

Molecular Properties

Compound Name1-(1-bromo-2-cyclohexylethyl)-4-ethoxybenzene
PubChem CID63437137
Molecular FormulaC16H23BrO
Molecular Weight311.26 g/mol
Exact Mass310.09
IUPAC Name1-(1-bromo-2-cyclohexylethyl)-4-ethoxybenzene
SMILESCCOc1ccc(C(Br)CC2CCCCC2)cc1
InChIInChI=1S/C16H23BrO/c1-2-18-15-10-8-14(9-11-15)16(17)12-13-6-4-3-5-7-13/h8-11,13,16H,2-7,12H2,1H3
InChIKeyKWNQVKHLUHBDHK-UHFFFAOYSA-N
XLogP5.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.26
LogP ≤ 55.49
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-cyclopentyl-1-(4-ethoxyphenyl)ethanol
CID 61101248
1-(1-bromo-2-cyclobutylethyl)-4-methoxybenzene
CID 103165731
[2-bromo-2-(4-ethylphenyl)ethyl]cycloheptane
CID 114458721
[2-bromo-2-(4-tert-butylphenyl)ethyl]cycloheptane
CID 114458720
[3-cyclohexyl-1-(4-ethoxyphenyl)propyl]hydrazine
CID 105300716
4-cyclohexyl-2-(4-ethoxyphenyl)-3-oxobutanenitrile
CID 43334715
2-bromo-1-(1-bromo-2-cyclohexylethyl)-4-methoxybenzene
CID 63443650
2-cycloheptyl-1-(4-propoxyphenyl)ethanamine
CID 115853480
1-(1-bromo-2-cyclobutylethyl)-4-(2-methylpropyl)benzene
CID 103165712
2-cyclopropyl-1-(4-ethoxyphenyl)propan-1-amine
CID 83153985
2-cycloheptyl-1-(3-ethoxyphenyl)ethanamine
CID 105022380
[2-cycloheptyl-1-(4-propoxyphenyl)ethyl]hydrazine
CID 105303625

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromo-2-cyclohexylethyl)-4-ethoxybenzene?
The IUPAC name of 1-(1-bromo-2-cyclohexylethyl)-4-ethoxybenzene (CID 63437137) is 1-(1-bromo-2-cyclohexylethyl)-4-ethoxybenzene.
What is the SMILES notation for 1-(1-bromo-2-cyclohexylethyl)-4-ethoxybenzene?
The canonical SMILES for 1-(1-bromo-2-cyclohexylethyl)-4-ethoxybenzene is CCOc1ccc(C(Br)CC2CCCCC2)cc1.
What is the InChIKey of 1-(1-bromo-2-cyclohexylethyl)-4-ethoxybenzene?
The InChIKey is KWNQVKHLUHBDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrO/c1-2-18-15-10-8-14(9-11-15)16(17)12-13-6-4-3-5-7-13/h8-11,13,16H,2-7,12H2,1H3.
What are the key properties of 1-(1-bromo-2-cyclohexylethyl)-4-ethoxybenzene?
1-(1-bromo-2-cyclohexylethyl)-4-ethoxybenzene has a molecular weight of 311.26 g/mol, XLogP of 5.49, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromo-2-cyclohexylethyl)-4-ethoxybenzene is sourced from PubChem (CID 63437137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).