3-(2-bromophenoxy)-2-cyclopentylpropan-1-ol

C14H19BrO2 — CID 117245811

IUPAC3-(2-bromophenoxy)-2-cyclopentylpropan-1-ol
SMILESOCC(COc1ccccc1Br)C1CCCC1
InChIInChI=1S/C14H19BrO2/c15-13-7-3-4-8-14(13)17-10-12(9-16)11-5-1-2-6-11/h3-4,7-8,11-12,16H,1-2,5-6,9-10H2
InChIKeySJPAGZQJYVVHIW-UHFFFAOYSA-N
MW299.21 g/mol
LogP3.63
Rot. Bonds5

About 3-(2-bromophenoxy)-2-cyclopentylpropan-1-ol

3-(2-bromophenoxy)-2-cyclopentylpropan-1-ol (PubChem CID 117245811) has the molecular formula C14H19BrO2 and a molecular weight of 299.21 g/mol. Its IUPAC name is 3-(2-bromophenoxy)-2-cyclopentylpropan-1-ol.

Molecular Properties

Compound Name3-(2-bromophenoxy)-2-cyclopentylpropan-1-ol
PubChem CID117245811
Molecular FormulaC14H19BrO2
Molecular Weight299.21 g/mol
Exact Mass298.06
IUPAC Name3-(2-bromophenoxy)-2-cyclopentylpropan-1-ol
SMILESOCC(COc1ccccc1Br)C1CCCC1
InChIInChI=1S/C14H19BrO2/c15-13-7-3-4-8-14(13)17-10-12(9-16)11-5-1-2-6-11/h3-4,7-8,11-12,16H,1-2,5-6,9-10H2
InChIKeySJPAGZQJYVVHIW-UHFFFAOYSA-N
XLogP3.63
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-(2-bromophenoxy)-3-(cyclohexylamino)propan-2-ol
CID 804670
[(2R)-3-(2-bromophenoxy)-2-hydroxypropyl]-cyclohexylazanium
CID 7420719
3-(2-chlorophenoxy)-2-(1-ethylpiperidin-4-yl)propan-1-ol
CID 117239259
1-(2-bromophenoxy)-3-(dicyclohexylamino)propan-2-ol
CID 2916524
2-cyclohexyl-3-pyridin-3-yloxypropan-1-ol
CID 117246006
3-(2-cyclohexyl-3-hydroxypropoxy)phenol
CID 117245989
3-(2-methylphenoxy)-2-(1-propan-2-ylpiperidin-4-yl)propan-1-ol
CID 117239253
2-[(2-bromophenoxy)methyl]-3,3-dimethylbutan-1-ol
CID 117242366
2-(2-bromophenoxy)-1-(thiolan-3-yl)ethanol
CID 117237266
(2S)-1-(2-bromophenoxy)-3-[(2R,6R)-2,6-dimethylpiperidin-1-ium-1-yl]propan-2-ol
CID 7073872
(2S)-1-(2-bromophenoxy)propan-2-ol
CID 106933011
2-(1-methylpiperidin-4-yl)-3-[2-(trifluoromethyl)phenoxy]propan-1-ol
CID 117239219

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenoxy)-2-cyclopentylpropan-1-ol?
The IUPAC name of 3-(2-bromophenoxy)-2-cyclopentylpropan-1-ol (CID 117245811) is 3-(2-bromophenoxy)-2-cyclopentylpropan-1-ol.
What is the SMILES notation for 3-(2-bromophenoxy)-2-cyclopentylpropan-1-ol?
The canonical SMILES for 3-(2-bromophenoxy)-2-cyclopentylpropan-1-ol is OCC(COc1ccccc1Br)C1CCCC1.
What is the InChIKey of 3-(2-bromophenoxy)-2-cyclopentylpropan-1-ol?
The InChIKey is SJPAGZQJYVVHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrO2/c15-13-7-3-4-8-14(13)17-10-12(9-16)11-5-1-2-6-11/h3-4,7-8,11-12,16H,1-2,5-6,9-10H2.
What are the key properties of 3-(2-bromophenoxy)-2-cyclopentylpropan-1-ol?
3-(2-bromophenoxy)-2-cyclopentylpropan-1-ol has a molecular weight of 299.21 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenoxy)-2-cyclopentylpropan-1-ol is sourced from PubChem (CID 117245811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).