[1-(3-bromophenoxy)cyclopentyl] acetate

C13H15BrO3 — CID 91405050

IUPAC[1-(3-bromophenoxy)cyclopentyl] acetate
SMILESCC(=O)OC1(Oc2cccc(Br)c2)CCCC1
InChIInChI=1S/C13H15BrO3/c1-10(15)16-13(7-2-3-8-13)17-12-6-4-5-11(14)9-12/h4-6,9H,2-3,7-8H2,1H3
InChIKeyUONGYOBUHHEYAS-UHFFFAOYSA-N
MW299.16 g/mol
LogP3.66
Rot. Bonds3

About [1-(3-bromophenoxy)cyclopentyl] acetate

[1-(3-bromophenoxy)cyclopentyl] acetate (PubChem CID 91405050) has the molecular formula C13H15BrO3 and a molecular weight of 299.16 g/mol. Its IUPAC name is [1-(3-bromophenoxy)cyclopentyl] acetate.

Molecular Properties

Compound Name[1-(3-bromophenoxy)cyclopentyl] acetate
PubChem CID91405050
Molecular FormulaC13H15BrO3
Molecular Weight299.16 g/mol
Exact Mass298.02
IUPAC Name[1-(3-bromophenoxy)cyclopentyl] acetate
SMILESCC(=O)OC1(Oc2cccc(Br)c2)CCCC1
InChIInChI=1S/C13H15BrO3/c1-10(15)16-13(7-2-3-8-13)17-12-6-4-5-11(14)9-12/h4-6,9H,2-3,7-8H2,1H3
InChIKeyUONGYOBUHHEYAS-UHFFFAOYSA-N
XLogP3.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[1-(3-bromophenoxy)-3,3,5,5-tetramethylcyclohexyl] acetate
CID 91372695
1-(3-bromophenoxy)cyclopentane-1-carboxamide
CID 82134789
(3-bromophenyl) 1-methylcyclopropane-1-carboxylate
CID 67255630
[3-(3-bromobenzoyl)phenyl] acetate
CID 24722940
(1-aminocyclopentyl)-(3-bromophenyl)methanone
CID 82305026
1-[3-(dimethylamino)phenoxy]cyclopentane-1-carboxylic acid
CID 82131344
1-[[2-(3-bromophenoxy)acetyl]amino]cyclohexane-1-carboxamide
CID 78903343
1-[(3-bromophenoxy)methyl]cyclohexan-1-amine
CID 84715280
[1-(3-hydroxyphenyl)cyclopentyl] acetate
CID 169012987
methyl 1-(3-bromophenyl)cyclobutane-1-carboxylate
CID 75487937
potassium;(3-bromophenyl) oxirane-2-carboxylate;hydride
CID 174897565
1-[2-(3-bromophenoxy)ethyl]cyclohexan-1-amine
CID 28918025

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromophenoxy)cyclopentyl] acetate?
The IUPAC name of [1-(3-bromophenoxy)cyclopentyl] acetate (CID 91405050) is [1-(3-bromophenoxy)cyclopentyl] acetate.
What is the SMILES notation for [1-(3-bromophenoxy)cyclopentyl] acetate?
The canonical SMILES for [1-(3-bromophenoxy)cyclopentyl] acetate is CC(=O)OC1(Oc2cccc(Br)c2)CCCC1.
What is the InChIKey of [1-(3-bromophenoxy)cyclopentyl] acetate?
The InChIKey is UONGYOBUHHEYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrO3/c1-10(15)16-13(7-2-3-8-13)17-12-6-4-5-11(14)9-12/h4-6,9H,2-3,7-8H2,1H3.
What are the key properties of [1-(3-bromophenoxy)cyclopentyl] acetate?
[1-(3-bromophenoxy)cyclopentyl] acetate has a molecular weight of 299.16 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromophenoxy)cyclopentyl] acetate is sourced from PubChem (CID 91405050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).