4-[[1-(bromomethyl)cyclohexyl]methoxy]-1,2-dichlorobenzene

C14H17BrCl2O — CID 65001796

IUPAC4-[[1-(bromomethyl)cyclohexyl]methoxy]-1,2-dichlorobenzene
SMILESClc1ccc(OCC2(CBr)CCCCC2)cc1Cl
InChIInChI=1S/C14H17BrCl2O/c15-9-14(6-2-1-3-7-14)10-18-11-4-5-12(16)13(17)8-11/h4-5,8H,1-3,6-7,9-10H2
InChIKeyWAKYJNGYRFIQHE-UHFFFAOYSA-N
MW352.10 g/mol
LogP5.72
Rot. Bonds4

About 4-[[1-(bromomethyl)cyclohexyl]methoxy]-1,2-dichlorobenzene

4-[[1-(bromomethyl)cyclohexyl]methoxy]-1,2-dichlorobenzene (PubChem CID 65001796) has the molecular formula C14H17BrCl2O and a molecular weight of 352.10 g/mol. Its IUPAC name is 4-[[1-(bromomethyl)cyclohexyl]methoxy]-1,2-dichlorobenzene.

Molecular Properties

Compound Name4-[[1-(bromomethyl)cyclohexyl]methoxy]-1,2-dichlorobenzene
PubChem CID65001796
Molecular FormulaC14H17BrCl2O
Molecular Weight352.10 g/mol
Exact Mass349.98
IUPAC Name4-[[1-(bromomethyl)cyclohexyl]methoxy]-1,2-dichlorobenzene
SMILESClc1ccc(OCC2(CBr)CCCCC2)cc1Cl
InChIInChI=1S/C14H17BrCl2O/c15-9-14(6-2-1-3-7-14)10-18-11-4-5-12(16)13(17)8-11/h4-5,8H,1-3,6-7,9-10H2
InChIKeyWAKYJNGYRFIQHE-UHFFFAOYSA-N
XLogP5.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.10
LogP ≤ 55.72
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

4-[[1-(bromomethyl)cyclobutyl]methoxy]-1-chloro-2-ethylbenzene
CID 65007584
4-[[1-(bromomethyl)cyclopropyl]methoxy]-1-chloro-2-fluorobenzene
CID 82716872
[1-[(3,4-dichlorophenoxy)methyl]cyclopentyl]methanesulfonyl chloride
CID 65002646
1-[[1-(bromomethyl)cyclopentyl]methoxy]-3,5-dichlorobenzene
CID 65001708
1-[(5-bromo-2-chlorophenoxy)methyl]-1-(bromomethyl)cycloheptane
CID 65010650
1-[[1-(bromomethyl)cyclobutyl]methoxy]-3-chlorobenzene
CID 65007522
1-(bromomethyl)-1-[(2-chloro-5-methylphenoxy)methyl]cycloheptane
CID 65010357
1-[[1-(bromomethyl)cyclohexyl]methoxy]-4-ethylbenzene
CID 65002392
1-(bromomethyl)-1-[(4-ethylphenoxy)methyl]cycloheptane
CID 65010002
1-(bromomethyl)-1-[(3-methoxyphenoxy)methyl]cycloheptane
CID 65009956
1-[[1-(bromomethyl)cyclopentyl]methoxy]-4-methylbenzene
CID 65001597
4-[[1-(bromomethyl)cycloheptyl]methoxy]benzonitrile
CID 65010301

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(bromomethyl)cyclohexyl]methoxy]-1,2-dichlorobenzene?
The IUPAC name of 4-[[1-(bromomethyl)cyclohexyl]methoxy]-1,2-dichlorobenzene (CID 65001796) is 4-[[1-(bromomethyl)cyclohexyl]methoxy]-1,2-dichlorobenzene.
What is the SMILES notation for 4-[[1-(bromomethyl)cyclohexyl]methoxy]-1,2-dichlorobenzene?
The canonical SMILES for 4-[[1-(bromomethyl)cyclohexyl]methoxy]-1,2-dichlorobenzene is Clc1ccc(OCC2(CBr)CCCCC2)cc1Cl.
What is the InChIKey of 4-[[1-(bromomethyl)cyclohexyl]methoxy]-1,2-dichlorobenzene?
The InChIKey is WAKYJNGYRFIQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrCl2O/c15-9-14(6-2-1-3-7-14)10-18-11-4-5-12(16)13(17)8-11/h4-5,8H,1-3,6-7,9-10H2.
What are the key properties of 4-[[1-(bromomethyl)cyclohexyl]methoxy]-1,2-dichlorobenzene?
4-[[1-(bromomethyl)cyclohexyl]methoxy]-1,2-dichlorobenzene has a molecular weight of 352.10 g/mol, XLogP of 5.72, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(bromomethyl)cyclohexyl]methoxy]-1,2-dichlorobenzene is sourced from PubChem (CID 65001796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).