1-[4-[[1-(bromomethyl)cyclopentyl]methoxy]phenyl]ethanone

C15H19BrO2 — CID 65001694

IUPAC1-[4-[[1-(bromomethyl)cyclopentyl]methoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCC2(CBr)CCCC2)cc1
InChIInChI=1S/C15H19BrO2/c1-12(17)13-4-6-14(7-5-13)18-11-15(10-16)8-2-3-9-15/h4-7H,2-3,8-11H2,1H3
InChIKeyYATVYBTVUMIMRI-UHFFFAOYSA-N
MW311.22 g/mol
LogP4.22
Rot. Bonds5

About 1-[4-[[1-(bromomethyl)cyclopentyl]methoxy]phenyl]ethanone

1-[4-[[1-(bromomethyl)cyclopentyl]methoxy]phenyl]ethanone (PubChem CID 65001694) has the molecular formula C15H19BrO2 and a molecular weight of 311.22 g/mol. Its IUPAC name is 1-[4-[[1-(bromomethyl)cyclopentyl]methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[[1-(bromomethyl)cyclopentyl]methoxy]phenyl]ethanone
PubChem CID65001694
Molecular FormulaC15H19BrO2
Molecular Weight311.22 g/mol
Exact Mass310.06
IUPAC Name1-[4-[[1-(bromomethyl)cyclopentyl]methoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCC2(CBr)CCCC2)cc1
InChIInChI=1S/C15H19BrO2/c1-12(17)13-4-6-14(7-5-13)18-11-15(10-16)8-2-3-9-15/h4-7H,2-3,8-11H2,1H3
InChIKeyYATVYBTVUMIMRI-UHFFFAOYSA-N
XLogP4.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 54.22
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

1-[4-[[4-(bromomethyl)oxan-4-yl]methoxy]phenyl]ethanone
CID 65004372
1-[4-[[1-(bromomethyl)cyclobutyl]methoxy]phenyl]propan-2-one
CID 115494528
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-methylsulfanylbenzene
CID 65001091
1-[4-[(1-methoxycyclobutyl)methoxy]phenyl]ethanone
CID 131961467
1-[[1-(bromomethyl)cyclopentyl]methoxy]-4-butylbenzene
CID 115492529
1-[[1-(bromomethyl)cyclobutyl]methoxy]-4-methylsulfonylbenzene
CID 65008059
1-[4-[[1-(bromomethyl)cyclopropyl]methoxy]-3-methoxyphenyl]ethanone
CID 65008577
4-[[1-(bromomethyl)cycloheptyl]methoxy]benzonitrile
CID 65010301
1-[[1-(bromomethyl)cyclopropyl]methoxy]-4-ethoxybenzene
CID 65008315

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[1-(bromomethyl)cyclopentyl]methoxy]phenyl]ethanone?
The IUPAC name of 1-[4-[[1-(bromomethyl)cyclopentyl]methoxy]phenyl]ethanone (CID 65001694) is 1-[4-[[1-(bromomethyl)cyclopentyl]methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[4-[[1-(bromomethyl)cyclopentyl]methoxy]phenyl]ethanone?
The canonical SMILES for 1-[4-[[1-(bromomethyl)cyclopentyl]methoxy]phenyl]ethanone is CC(=O)c1ccc(OCC2(CBr)CCCC2)cc1.
What is the InChIKey of 1-[4-[[1-(bromomethyl)cyclopentyl]methoxy]phenyl]ethanone?
The InChIKey is YATVYBTVUMIMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrO2/c1-12(17)13-4-6-14(7-5-13)18-11-15(10-16)8-2-3-9-15/h4-7H,2-3,8-11H2,1H3.
What are the key properties of 1-[4-[[1-(bromomethyl)cyclopentyl]methoxy]phenyl]ethanone?
1-[4-[[1-(bromomethyl)cyclopentyl]methoxy]phenyl]ethanone has a molecular weight of 311.22 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[1-(bromomethyl)cyclopentyl]methoxy]phenyl]ethanone is sourced from PubChem (CID 65001694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).