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

C15H21BrO3 — CID 65001653

IUPAC1-[[1-(bromomethyl)cyclopentyl]methoxy]-3,5-dimethoxybenzene
SMILESCOc1cc(OC)cc(OCC2(CBr)CCCC2)c1
InChIInChI=1S/C15H21BrO3/c1-17-12-7-13(18-2)9-14(8-12)19-11-15(10-16)5-3-4-6-15/h7-9H,3-6,10-11H2,1-2H3
InChIKeyKLHMCLPFXMBYJX-UHFFFAOYSA-N
MW329.23 g/mol
LogP4.04
Rot. Bonds6

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

1-[[1-(bromomethyl)cyclopentyl]methoxy]-3,5-dimethoxybenzene (PubChem CID 65001653) has the molecular formula C15H21BrO3 and a molecular weight of 329.23 g/mol. Its IUPAC name is 1-[[1-(bromomethyl)cyclopentyl]methoxy]-3,5-dimethoxybenzene.

Molecular Properties

Compound Name1-[[1-(bromomethyl)cyclopentyl]methoxy]-3,5-dimethoxybenzene
PubChem CID65001653
Molecular FormulaC15H21BrO3
Molecular Weight329.23 g/mol
Exact Mass328.07
IUPAC Name1-[[1-(bromomethyl)cyclopentyl]methoxy]-3,5-dimethoxybenzene
SMILESCOc1cc(OC)cc(OCC2(CBr)CCCC2)c1
InChIInChI=1S/C15H21BrO3/c1-17-12-7-13(18-2)9-14(8-12)19-11-15(10-16)5-3-4-6-15/h7-9H,3-6,10-11H2,1-2H3
InChIKeyKLHMCLPFXMBYJX-UHFFFAOYSA-N
XLogP4.04
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(bromomethyl)-1-[(3-methoxyphenoxy)methyl]cycloheptane
CID 65009956
2-bromo-5-[[1-(bromomethyl)cyclopentyl]methoxy]-1,3-dimethylbenzene
CID 107723040
1-[[1-(bromomethyl)cyclopentyl]methoxy]-3,5-dichlorobenzene
CID 65001708
1-[[1-(bromomethyl)cyclopentyl]methoxy]-4-methylbenzene
CID 65001597
1-[[1-(bromomethyl)cyclohexyl]methoxy]-4-ethylbenzene
CID 65002392
1-(bromomethyl)-1-[(4-ethylphenoxy)methyl]cycloheptane
CID 65010002
1-[[1-(bromomethyl)cyclopentyl]methoxy]-3-ethylbenzene
CID 65001286
1-[[1-(bromomethyl)cyclopentyl]methoxy]-4-methylsulfanylbenzene
CID 65001091
4-[[1-(bromomethyl)cyclopentyl]methoxy]-1-methoxy-2-nitrobenzene
CID 103201590
1-[[1-(bromomethyl)cyclobutyl]methoxy]-2-tert-butyl-4-methoxybenzene
CID 65007893
1-[[1-(bromomethyl)cyclopentyl]methoxy]-4-butylbenzene
CID 115492529
4-[[1-(bromomethyl)cyclohexyl]methoxy]-1,2-dichlorobenzene
CID 65001796

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(bromomethyl)cyclopentyl]methoxy]-3,5-dimethoxybenzene?
The IUPAC name of 1-[[1-(bromomethyl)cyclopentyl]methoxy]-3,5-dimethoxybenzene (CID 65001653) is 1-[[1-(bromomethyl)cyclopentyl]methoxy]-3,5-dimethoxybenzene.
What is the SMILES notation for 1-[[1-(bromomethyl)cyclopentyl]methoxy]-3,5-dimethoxybenzene?
The canonical SMILES for 1-[[1-(bromomethyl)cyclopentyl]methoxy]-3,5-dimethoxybenzene is COc1cc(OC)cc(OCC2(CBr)CCCC2)c1.
What is the InChIKey of 1-[[1-(bromomethyl)cyclopentyl]methoxy]-3,5-dimethoxybenzene?
The InChIKey is KLHMCLPFXMBYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrO3/c1-17-12-7-13(18-2)9-14(8-12)19-11-15(10-16)5-3-4-6-15/h7-9H,3-6,10-11H2,1-2H3.
What are the key properties of 1-[[1-(bromomethyl)cyclopentyl]methoxy]-3,5-dimethoxybenzene?
1-[[1-(bromomethyl)cyclopentyl]methoxy]-3,5-dimethoxybenzene has a molecular weight of 329.23 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(bromomethyl)cyclopentyl]methoxy]-3,5-dimethoxybenzene is sourced from PubChem (CID 65001653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).