1-(2-chloro-5-fluorophenoxy)-3-cyclopentylpropan-2-ol

C14H18ClFO2 — CID 114264292

IUPAC1-(2-chloro-5-fluorophenoxy)-3-cyclopentylpropan-2-ol
SMILESOC(COc1cc(F)ccc1Cl)CC1CCCC1
InChIInChI=1S/C14H18ClFO2/c15-13-6-5-11(16)8-14(13)18-9-12(17)7-10-3-1-2-4-10/h5-6,8,10,12,17H,1-4,7,9H2
InChIKeyQOABVRVSKHEJCZ-UHFFFAOYSA-N
MW272.75 g/mol
LogP3.80
Rot. Bonds5

About 1-(2-chloro-5-fluorophenoxy)-3-cyclopentylpropan-2-ol

1-(2-chloro-5-fluorophenoxy)-3-cyclopentylpropan-2-ol (PubChem CID 114264292) has the molecular formula C14H18ClFO2 and a molecular weight of 272.75 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenoxy)-3-cyclopentylpropan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenoxy)-3-cyclopentylpropan-2-ol
PubChem CID114264292
Molecular FormulaC14H18ClFO2
Molecular Weight272.75 g/mol
Exact Mass272.10
IUPAC Name1-(2-chloro-5-fluorophenoxy)-3-cyclopentylpropan-2-ol
SMILESOC(COc1cc(F)ccc1Cl)CC1CCCC1
InChIInChI=1S/C14H18ClFO2/c15-13-6-5-11(16)8-14(13)18-9-12(17)7-10-3-1-2-4-10/h5-6,8,10,12,17H,1-4,7,9H2
InChIKeyQOABVRVSKHEJCZ-UHFFFAOYSA-N
XLogP3.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.75
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-chloro-5-fluorophenoxy)-3-cyclopentylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(3-cyclopentyl-2-hydroxypropoxy)-4-fluorophenyl]ethanone
CID 103158590
1-amino-3-(2-chloro-5-fluorophenoxy)propan-2-ol
CID 66793811
(2R)-1-amino-3-(2-chloro-5-fluorophenoxy)propan-2-ol
CID 59761877
(2R)-1-(2-chloro-5-fluorophenoxy)-3-propan-2-yloxypropan-2-ol
CID 124625807
1-(2-chloro-5-fluorophenyl)-3-cycloheptylpropan-2-ol
CID 102623074
1-cyclopentyl-3-(2-methoxyphenoxy)propan-2-ol
CID 103160603
1-chloro-2-(2,2-difluoroethoxy)-4-fluorobenzene
CID 130501614
1-cyclopentyl-3-naphthalen-1-yloxypropan-2-ol
CID 103160605
1-(4-chlorophenoxy)-3-cyclobutylpropan-2-ol
CID 105100781
1-cyclopentyl-3-[2-fluoro-4-(methylaminomethyl)phenoxy]propan-2-ol
CID 107686518
1-cyclopentyl-3-[2-(1-hydroxypropyl)phenoxy]propan-2-ol
CID 103158943
3-bromo-4-(3-cyclopentyl-2-hydroxypropoxy)benzoic acid
CID 103158705

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenoxy)-3-cyclopentylpropan-2-ol?
The IUPAC name of 1-(2-chloro-5-fluorophenoxy)-3-cyclopentylpropan-2-ol (CID 114264292) is 1-(2-chloro-5-fluorophenoxy)-3-cyclopentylpropan-2-ol.
What is the SMILES notation for 1-(2-chloro-5-fluorophenoxy)-3-cyclopentylpropan-2-ol?
The canonical SMILES for 1-(2-chloro-5-fluorophenoxy)-3-cyclopentylpropan-2-ol is OC(COc1cc(F)ccc1Cl)CC1CCCC1.
What is the InChIKey of 1-(2-chloro-5-fluorophenoxy)-3-cyclopentylpropan-2-ol?
The InChIKey is QOABVRVSKHEJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFO2/c15-13-6-5-11(16)8-14(13)18-9-12(17)7-10-3-1-2-4-10/h5-6,8,10,12,17H,1-4,7,9H2.
What are the key properties of 1-(2-chloro-5-fluorophenoxy)-3-cyclopentylpropan-2-ol?
1-(2-chloro-5-fluorophenoxy)-3-cyclopentylpropan-2-ol has a molecular weight of 272.75 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenoxy)-3-cyclopentylpropan-2-ol is sourced from PubChem (CID 114264292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).