1-[[1-(bromomethyl)cyclopentyl]methoxy]-3,5-dichlorobenzene

C13H15BrCl2O — CID 65001708

IUPAC1-[[1-(bromomethyl)cyclopentyl]methoxy]-3,5-dichlorobenzene
SMILESClc1cc(Cl)cc(OCC2(CBr)CCCC2)c1
InChIInChI=1S/C13H15BrCl2O/c14-8-13(3-1-2-4-13)9-17-12-6-10(15)5-11(16)7-12/h5-7H,1-4,8-9H2
InChIKeyKJRFPGWFCJSSPD-UHFFFAOYSA-N
MW338.07 g/mol
LogP5.33
Rot. Bonds4

About 1-[[1-(bromomethyl)cyclopentyl]methoxy]-3,5-dichlorobenzene

1-[[1-(bromomethyl)cyclopentyl]methoxy]-3,5-dichlorobenzene (PubChem CID 65001708) has the molecular formula C13H15BrCl2O and a molecular weight of 338.07 g/mol. Its IUPAC name is 1-[[1-(bromomethyl)cyclopentyl]methoxy]-3,5-dichlorobenzene.

Molecular Properties

Compound Name1-[[1-(bromomethyl)cyclopentyl]methoxy]-3,5-dichlorobenzene
PubChem CID65001708
Molecular FormulaC13H15BrCl2O
Molecular Weight338.07 g/mol
Exact Mass335.97
IUPAC Name1-[[1-(bromomethyl)cyclopentyl]methoxy]-3,5-dichlorobenzene
SMILESClc1cc(Cl)cc(OCC2(CBr)CCCC2)c1
InChIInChI=1S/C13H15BrCl2O/c14-8-13(3-1-2-4-13)9-17-12-6-10(15)5-11(16)7-12/h5-7H,1-4,8-9H2
InChIKeyKJRFPGWFCJSSPD-UHFFFAOYSA-N
XLogP5.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.07
LogP ≤ 55.33
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-[[1-(bromomethyl)cyclobutyl]methoxy]-3-chlorobenzene
CID 65007522
3-[[1-(bromomethyl)cyclobutyl]methoxy]-5-chloropyridine
CID 65007377
1-[[1-(bromomethyl)cyclopentyl]methoxy]-3,5-dimethoxybenzene
CID 65001653
4-[[1-(bromomethyl)cyclohexyl]methoxy]-1,2-dichlorobenzene
CID 65001796
2-bromo-5-[[1-(bromomethyl)cyclopentyl]methoxy]-1,3-dimethylbenzene
CID 107723040
1-[[1-(bromomethyl)cyclopentyl]methoxy]-4-methylbenzene
CID 65001597
2-[[1-(bromomethyl)cyclopropyl]methoxy]-5-chloro-1,3-dimethylbenzene
CID 65008475
4-[[1-(bromomethyl)cyclobutyl]methoxy]-1-chloro-2-ethylbenzene
CID 65007584
1-(bromomethyl)-1-[(3-methoxyphenoxy)methyl]cycloheptane
CID 65009956
1-[[1-(bromomethyl)cyclopentyl]methoxy]-3-ethylbenzene
CID 65001286
1-(bromomethyl)-1-[(4-ethylphenoxy)methyl]cycloheptane
CID 65010002
1-[[1-(bromomethyl)cyclohexyl]methoxy]-4-ethylbenzene
CID 65002392

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(bromomethyl)cyclopentyl]methoxy]-3,5-dichlorobenzene?
The IUPAC name of 1-[[1-(bromomethyl)cyclopentyl]methoxy]-3,5-dichlorobenzene (CID 65001708) is 1-[[1-(bromomethyl)cyclopentyl]methoxy]-3,5-dichlorobenzene.
What is the SMILES notation for 1-[[1-(bromomethyl)cyclopentyl]methoxy]-3,5-dichlorobenzene?
The canonical SMILES for 1-[[1-(bromomethyl)cyclopentyl]methoxy]-3,5-dichlorobenzene is Clc1cc(Cl)cc(OCC2(CBr)CCCC2)c1.
What is the InChIKey of 1-[[1-(bromomethyl)cyclopentyl]methoxy]-3,5-dichlorobenzene?
The InChIKey is KJRFPGWFCJSSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrCl2O/c14-8-13(3-1-2-4-13)9-17-12-6-10(15)5-11(16)7-12/h5-7H,1-4,8-9H2.
What are the key properties of 1-[[1-(bromomethyl)cyclopentyl]methoxy]-3,5-dichlorobenzene?
1-[[1-(bromomethyl)cyclopentyl]methoxy]-3,5-dichlorobenzene has a molecular weight of 338.07 g/mol, XLogP of 5.33, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(bromomethyl)cyclopentyl]methoxy]-3,5-dichlorobenzene is sourced from PubChem (CID 65001708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).