4-bromo-2-(chloromethyl)-1-(cyclohexylmethoxy)benzene

C14H18BrClO — CID 28981481

IUPAC4-bromo-2-(chloromethyl)-1-(cyclohexylmethoxy)benzene
SMILESClCc1cc(Br)ccc1OCC1CCCCC1
InChIInChI=1S/C14H18BrClO/c15-13-6-7-14(12(8-13)9-16)17-10-11-4-2-1-3-5-11/h6-8,11H,1-5,9-10H2
InChIKeyURNSNUIMPHZNBS-UHFFFAOYSA-N
MW317.65 g/mol
LogP5.15
Rot. Bonds4

About 4-bromo-2-(chloromethyl)-1-(cyclohexylmethoxy)benzene

4-bromo-2-(chloromethyl)-1-(cyclohexylmethoxy)benzene (PubChem CID 28981481) has the molecular formula C14H18BrClO and a molecular weight of 317.65 g/mol. Its IUPAC name is 4-bromo-2-(chloromethyl)-1-(cyclohexylmethoxy)benzene.

Molecular Properties

Compound Name4-bromo-2-(chloromethyl)-1-(cyclohexylmethoxy)benzene
PubChem CID28981481
Molecular FormulaC14H18BrClO
Molecular Weight317.65 g/mol
Exact Mass316.02
IUPAC Name4-bromo-2-(chloromethyl)-1-(cyclohexylmethoxy)benzene
SMILESClCc1cc(Br)ccc1OCC1CCCCC1
InChIInChI=1S/C14H18BrClO/c15-13-6-7-14(12(8-13)9-16)17-10-11-4-2-1-3-5-11/h6-8,11H,1-5,9-10H2
InChIKeyURNSNUIMPHZNBS-UHFFFAOYSA-N
XLogP5.15
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 ≤ 55.15
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-(chloromethyl)-1-(cyclohexylmethoxy)-4-fluorobenzene
CID 107698926
[5-bromo-2-(cyclopentylmethoxy)phenyl]methanamine
CID 61344976
N-[[5-bromo-2-(cyclobutylmethoxy)phenyl]methyl]hydroxylamine
CID 117461140
2-(chloromethyl)-1-(cyclohexylmethoxy)-4-nitrobenzene
CID 43472996
2-[5-bromo-2-(cyclopropylmethoxy)phenyl]ethanamine
CID 60906211
3-[5-bromo-2-(cyclopropylmethoxy)phenyl]propanal
CID 117454997
[5-chloro-2-(cyclohexylmethoxy)phenyl]methanamine
CID 43141776
[2-(cyclohexylmethoxy)-5-fluorophenyl]methanol
CID 107698568
(3R)-3-[(4-bromo-2-ethylphenoxy)methyl]piperidine
CID 86321965
1-(bromomethyl)-2-(cyclopentylmethoxy)benzene
CID 61343019
2-bromo-1-chloro-3-(cyclohexylmethoxy)benzene
CID 156587194
2-(chloromethyl)-1-(2-cyclohexylethoxy)-4-fluorobenzene
CID 114191447

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(chloromethyl)-1-(cyclohexylmethoxy)benzene?
The IUPAC name of 4-bromo-2-(chloromethyl)-1-(cyclohexylmethoxy)benzene (CID 28981481) is 4-bromo-2-(chloromethyl)-1-(cyclohexylmethoxy)benzene.
What is the SMILES notation for 4-bromo-2-(chloromethyl)-1-(cyclohexylmethoxy)benzene?
The canonical SMILES for 4-bromo-2-(chloromethyl)-1-(cyclohexylmethoxy)benzene is ClCc1cc(Br)ccc1OCC1CCCCC1.
What is the InChIKey of 4-bromo-2-(chloromethyl)-1-(cyclohexylmethoxy)benzene?
The InChIKey is URNSNUIMPHZNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClO/c15-13-6-7-14(12(8-13)9-16)17-10-11-4-2-1-3-5-11/h6-8,11H,1-5,9-10H2.
What are the key properties of 4-bromo-2-(chloromethyl)-1-(cyclohexylmethoxy)benzene?
4-bromo-2-(chloromethyl)-1-(cyclohexylmethoxy)benzene has a molecular weight of 317.65 g/mol, XLogP of 5.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(chloromethyl)-1-(cyclohexylmethoxy)benzene is sourced from PubChem (CID 28981481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).