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

C14H17BrCl2 — CID 66051088

IUPAC1-[[1-(bromomethyl)cyclohexyl]methyl]-2,4-dichlorobenzene
SMILESClc1ccc(CC2(CBr)CCCCC2)c(Cl)c1
InChIInChI=1S/C14H17BrCl2/c15-10-14(6-2-1-3-7-14)9-11-4-5-12(16)8-13(11)17/h4-5,8H,1-3,6-7,9-10H2
InChIKeyRQRXGPULCOUTDH-UHFFFAOYSA-N
MW336.10 g/mol
LogP5.88
Rot. Bonds3

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

1-[[1-(bromomethyl)cyclohexyl]methyl]-2,4-dichlorobenzene (PubChem CID 66051088) has the molecular formula C14H17BrCl2 and a molecular weight of 336.10 g/mol. Its IUPAC name is 1-[[1-(bromomethyl)cyclohexyl]methyl]-2,4-dichlorobenzene.

Molecular Properties

Compound Name1-[[1-(bromomethyl)cyclohexyl]methyl]-2,4-dichlorobenzene
PubChem CID66051088
Molecular FormulaC14H17BrCl2
Molecular Weight336.10 g/mol
Exact Mass333.99
IUPAC Name1-[[1-(bromomethyl)cyclohexyl]methyl]-2,4-dichlorobenzene
SMILESClc1ccc(CC2(CBr)CCCCC2)c(Cl)c1
InChIInChI=1S/C14H17BrCl2/c15-10-14(6-2-1-3-7-14)9-11-4-5-12(16)8-13(11)17/h4-5,8H,1-3,6-7,9-10H2
InChIKeyRQRXGPULCOUTDH-UHFFFAOYSA-N
XLogP5.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.10
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[1-[(2,4-dichlorophenyl)methyl]cyclohexyl]-N-methylmethanamine
CID 55194513
[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]methanol
CID 66025200
[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]methanamine
CID 65194915
1-[[1-(bromomethyl)cyclopentyl]methyl]-4-chlorobenzene
CID 66049339
1-[[1-(bromomethyl)cyclohexyl]methyl]-3-chloro-2-fluorobenzene
CID 102863764
N-[[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]methyl]cyclopropanamine
CID 66026019
[1-[(4-chloro-2-fluorophenyl)methyl]cycloheptyl]methanamine
CID 114861566
4-chloro-1-[[1-(chloromethyl)cyclopentyl]methyl]-2-fluorobenzene
CID 114861894
N-[[1-(chloromethyl)cyclopentyl]methyl]-1-(2,4-dichlorophenyl)methanamine
CID 115363288
2-[[1-(bromomethyl)cyclohexyl]methyl]-1,4-dimethylbenzene
CID 66050873
[1-[(2-chloro-4-methylphenyl)methyl]cyclopentyl]methanol
CID 106870584
2-[[1-(bromomethyl)cyclohexyl]methyl]-4-fluoro-1-methylbenzene
CID 105376025

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(bromomethyl)cyclohexyl]methyl]-2,4-dichlorobenzene?
The IUPAC name of 1-[[1-(bromomethyl)cyclohexyl]methyl]-2,4-dichlorobenzene (CID 66051088) is 1-[[1-(bromomethyl)cyclohexyl]methyl]-2,4-dichlorobenzene.
What is the SMILES notation for 1-[[1-(bromomethyl)cyclohexyl]methyl]-2,4-dichlorobenzene?
The canonical SMILES for 1-[[1-(bromomethyl)cyclohexyl]methyl]-2,4-dichlorobenzene is Clc1ccc(CC2(CBr)CCCCC2)c(Cl)c1.
What is the InChIKey of 1-[[1-(bromomethyl)cyclohexyl]methyl]-2,4-dichlorobenzene?
The InChIKey is RQRXGPULCOUTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrCl2/c15-10-14(6-2-1-3-7-14)9-11-4-5-12(16)8-13(11)17/h4-5,8H,1-3,6-7,9-10H2.
What are the key properties of 1-[[1-(bromomethyl)cyclohexyl]methyl]-2,4-dichlorobenzene?
1-[[1-(bromomethyl)cyclohexyl]methyl]-2,4-dichlorobenzene has a molecular weight of 336.10 g/mol, XLogP of 5.88, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(bromomethyl)cyclohexyl]methyl]-2,4-dichlorobenzene is sourced from PubChem (CID 66051088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).