1-[[1-(bromomethyl)cyclopentyl]methoxy]-4-methylbenzene

C14H19BrO — CID 65001597

IUPAC1-[[1-(bromomethyl)cyclopentyl]methoxy]-4-methylbenzene
SMILESCc1ccc(OCC2(CBr)CCCC2)cc1
InChIInChI=1S/C14H19BrO/c1-12-4-6-13(7-5-12)16-11-14(10-15)8-2-3-9-14/h4-7H,2-3,8-11H2,1H3
InChIKeyAITRYEKRMOSICY-UHFFFAOYSA-N
MW283.21 g/mol
LogP4.33
Rot. Bonds4

About 1-[[1-(bromomethyl)cyclopentyl]methoxy]-4-methylbenzene

1-[[1-(bromomethyl)cyclopentyl]methoxy]-4-methylbenzene (PubChem CID 65001597) has the molecular formula C14H19BrO and a molecular weight of 283.21 g/mol. Its IUPAC name is 1-[[1-(bromomethyl)cyclopentyl]methoxy]-4-methylbenzene.

Molecular Properties

Compound Name1-[[1-(bromomethyl)cyclopentyl]methoxy]-4-methylbenzene
PubChem CID65001597
Molecular FormulaC14H19BrO
Molecular Weight283.21 g/mol
Exact Mass282.06
IUPAC Name1-[[1-(bromomethyl)cyclopentyl]methoxy]-4-methylbenzene
SMILESCc1ccc(OCC2(CBr)CCCC2)cc1
InChIInChI=1S/C14H19BrO/c1-12-4-6-13(7-5-12)16-11-14(10-15)8-2-3-9-14/h4-7H,2-3,8-11H2,1H3
InChIKeyAITRYEKRMOSICY-UHFFFAOYSA-N
XLogP4.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 54.33
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)cyclohexyl]methoxy]-4-ethylbenzene
CID 65002392
1-(bromomethyl)-1-[(4-ethylphenoxy)methyl]cycloheptane
CID 65010002
1-[[1-(bromomethyl)cyclopentyl]methoxy]-4-methylsulfanylbenzene
CID 65001091
1-[[1-(bromomethyl)cyclopentyl]methoxy]-4-butylbenzene
CID 115492529
1-[4-[[1-(bromomethyl)cyclopentyl]methoxy]phenyl]ethanone
CID 65001694
4-[[1-(bromomethyl)cycloheptyl]methoxy]benzonitrile
CID 65010301
1-[[1-(bromomethyl)cyclopropyl]methoxy]-4-ethoxybenzene
CID 65008315
2-bromo-5-[[1-(bromomethyl)cyclopentyl]methoxy]-1,3-dimethylbenzene
CID 107723040
1-[[1-(bromomethyl)cyclobutyl]methoxy]-4-methylsulfonylbenzene
CID 65008059
ethane;4-[(4-methylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine
CID 143919319
1-[[1-(bromomethyl)cyclopentyl]methoxy]-3,5-dimethoxybenzene
CID 65001653
1-[4-[[1-(bromomethyl)cyclobutyl]methoxy]phenyl]propan-2-one
CID 115494528

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(bromomethyl)cyclopentyl]methoxy]-4-methylbenzene?
The IUPAC name of 1-[[1-(bromomethyl)cyclopentyl]methoxy]-4-methylbenzene (CID 65001597) is 1-[[1-(bromomethyl)cyclopentyl]methoxy]-4-methylbenzene.
What is the SMILES notation for 1-[[1-(bromomethyl)cyclopentyl]methoxy]-4-methylbenzene?
The canonical SMILES for 1-[[1-(bromomethyl)cyclopentyl]methoxy]-4-methylbenzene is Cc1ccc(OCC2(CBr)CCCC2)cc1.
What is the InChIKey of 1-[[1-(bromomethyl)cyclopentyl]methoxy]-4-methylbenzene?
The InChIKey is AITRYEKRMOSICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrO/c1-12-4-6-13(7-5-12)16-11-14(10-15)8-2-3-9-14/h4-7H,2-3,8-11H2,1H3.
What are the key properties of 1-[[1-(bromomethyl)cyclopentyl]methoxy]-4-methylbenzene?
1-[[1-(bromomethyl)cyclopentyl]methoxy]-4-methylbenzene has a molecular weight of 283.21 g/mol, XLogP of 4.33, 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]-4-methylbenzene is sourced from PubChem (CID 65001597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).