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

C14H19BrOS — CID 65001091

IUPAC1-[[1-(bromomethyl)cyclopentyl]methoxy]-4-methylsulfanylbenzene
SMILESCSc1ccc(OCC2(CBr)CCCC2)cc1
InChIInChI=1S/C14H19BrOS/c1-17-13-6-4-12(5-7-13)16-11-14(10-15)8-2-3-9-14/h4-7H,2-3,8-11H2,1H3
InChIKeyKFZXFNIZAJCKDF-UHFFFAOYSA-N
MW315.28 g/mol
LogP4.74
Rot. Bonds5

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

1-[[1-(bromomethyl)cyclopentyl]methoxy]-4-methylsulfanylbenzene (PubChem CID 65001091) has the molecular formula C14H19BrOS and a molecular weight of 315.28 g/mol. Its IUPAC name is 1-[[1-(bromomethyl)cyclopentyl]methoxy]-4-methylsulfanylbenzene.

Molecular Properties

Compound Name1-[[1-(bromomethyl)cyclopentyl]methoxy]-4-methylsulfanylbenzene
PubChem CID65001091
Molecular FormulaC14H19BrOS
Molecular Weight315.28 g/mol
Exact Mass314.03
IUPAC Name1-[[1-(bromomethyl)cyclopentyl]methoxy]-4-methylsulfanylbenzene
SMILESCSc1ccc(OCC2(CBr)CCCC2)cc1
InChIInChI=1S/C14H19BrOS/c1-17-13-6-4-12(5-7-13)16-11-14(10-15)8-2-3-9-14/h4-7H,2-3,8-11H2,1H3
InChIKeyKFZXFNIZAJCKDF-UHFFFAOYSA-N
XLogP4.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.28
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(bromomethyl)-4-[(4-methylsulfanylphenoxy)methyl]oxane
CID 65004434
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]-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-[1-[(4-methylsulfanylphenoxy)methyl]cyclopropyl]acetonitrile
CID 65493248
1-[[1-(bromomethyl)cyclobutyl]methoxy]-4-methylsulfonylbenzene
CID 65008059
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-methylsulfanylbenzene?
The IUPAC name of 1-[[1-(bromomethyl)cyclopentyl]methoxy]-4-methylsulfanylbenzene (CID 65001091) is 1-[[1-(bromomethyl)cyclopentyl]methoxy]-4-methylsulfanylbenzene.
What is the SMILES notation for 1-[[1-(bromomethyl)cyclopentyl]methoxy]-4-methylsulfanylbenzene?
The canonical SMILES for 1-[[1-(bromomethyl)cyclopentyl]methoxy]-4-methylsulfanylbenzene is CSc1ccc(OCC2(CBr)CCCC2)cc1.
What is the InChIKey of 1-[[1-(bromomethyl)cyclopentyl]methoxy]-4-methylsulfanylbenzene?
The InChIKey is KFZXFNIZAJCKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrOS/c1-17-13-6-4-12(5-7-13)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-methylsulfanylbenzene?
1-[[1-(bromomethyl)cyclopentyl]methoxy]-4-methylsulfanylbenzene has a molecular weight of 315.28 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(bromomethyl)cyclopentyl]methoxy]-4-methylsulfanylbenzene is sourced from PubChem (CID 65001091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).