1-(2-bromo-1-cyclohexyloxyethyl)-2-chlorobenzene

C14H18BrClO — CID 63468804

IUPAC1-(2-bromo-1-cyclohexyloxyethyl)-2-chlorobenzene
SMILESClc1ccccc1C(CBr)OC1CCCCC1
InChIInChI=1S/C14H18BrClO/c15-10-14(12-8-4-5-9-13(12)16)17-11-6-2-1-3-7-11/h4-5,8-9,11,14H,1-3,6-7,10H2
InChIKeyKSBLKJYAFYBAGT-UHFFFAOYSA-N
MW317.65 g/mol
LogP5.13
Rot. Bonds4

About 1-(2-bromo-1-cyclohexyloxyethyl)-2-chlorobenzene

1-(2-bromo-1-cyclohexyloxyethyl)-2-chlorobenzene (PubChem CID 63468804) has the molecular formula C14H18BrClO and a molecular weight of 317.65 g/mol. Its IUPAC name is 1-(2-bromo-1-cyclohexyloxyethyl)-2-chlorobenzene.

Molecular Properties

Compound Name1-(2-bromo-1-cyclohexyloxyethyl)-2-chlorobenzene
PubChem CID63468804
Molecular FormulaC14H18BrClO
Molecular Weight317.65 g/mol
Exact Mass316.02
IUPAC Name1-(2-bromo-1-cyclohexyloxyethyl)-2-chlorobenzene
SMILESClc1ccccc1C(CBr)OC1CCCCC1
InChIInChI=1S/C14H18BrClO/c15-10-14(12-8-4-5-9-13(12)16)17-11-6-2-1-3-7-11/h4-5,8-9,11,14H,1-3,6-7,10H2
InChIKeyKSBLKJYAFYBAGT-UHFFFAOYSA-N
XLogP5.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.65
LogP ≤ 55.13
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-chloro-2-(1-cyclopentyloxy-2-iodoethyl)benzene
CID 114772493
1-[2-bromo-1-(2-methylcyclohexyl)oxyethyl]-2-chlorobenzene
CID 63468076
2-(2-chlorophenyl)-2-cyclohexyloxy-N-ethylethanamine
CID 62108606
N-[2-(2-chlorophenyl)-2-cyclobutyloxyethyl]propan-1-amine
CID 62381645
1-chloro-2-[2-iodo-1-(3-methoxycyclohexyl)oxyethyl]benzene
CID 114774288
1-(2-chlorophenyl)-1-cyclopentyloxypropan-2-amine
CID 55022905
N-[2-(2-chlorophenyl)-2-(4-methylcyclohexyl)oxyethyl]cyclopropanamine
CID 63476222
2-[[2-bromo-1-(2-chlorophenyl)ethoxy]methyl]oxolane
CID 62107975
1-bromo-3-(2-bromo-1-cyclohexyloxyethyl)benzene
CID 63468801
2-cyclohexyloxy-2-(2-fluorophenyl)ethanamine
CID 55018547
2-(2-bromophenyl)-2-cycloheptyloxy-N-methylethanamine
CID 62109896
N-[2-(2-chlorophenyl)-2-(3-methylcyclohexyl)oxyethyl]cyclopropanamine
CID 63475552

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-1-cyclohexyloxyethyl)-2-chlorobenzene?
The IUPAC name of 1-(2-bromo-1-cyclohexyloxyethyl)-2-chlorobenzene (CID 63468804) is 1-(2-bromo-1-cyclohexyloxyethyl)-2-chlorobenzene.
What is the SMILES notation for 1-(2-bromo-1-cyclohexyloxyethyl)-2-chlorobenzene?
The canonical SMILES for 1-(2-bromo-1-cyclohexyloxyethyl)-2-chlorobenzene is Clc1ccccc1C(CBr)OC1CCCCC1.
What is the InChIKey of 1-(2-bromo-1-cyclohexyloxyethyl)-2-chlorobenzene?
The InChIKey is KSBLKJYAFYBAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClO/c15-10-14(12-8-4-5-9-13(12)16)17-11-6-2-1-3-7-11/h4-5,8-9,11,14H,1-3,6-7,10H2.
What are the key properties of 1-(2-bromo-1-cyclohexyloxyethyl)-2-chlorobenzene?
1-(2-bromo-1-cyclohexyloxyethyl)-2-chlorobenzene has a molecular weight of 317.65 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-1-cyclohexyloxyethyl)-2-chlorobenzene is sourced from PubChem (CID 63468804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).