1-(4-chlorophenoxy)-3-cyclobutylpropan-2-ol

C13H17ClO2 — CID 105100781

IUPAC1-(4-chlorophenoxy)-3-cyclobutylpropan-2-ol
SMILESOC(COc1ccc(Cl)cc1)CC1CCC1
InChIInChI=1S/C13H17ClO2/c14-11-4-6-13(7-5-11)16-9-12(15)8-10-2-1-3-10/h4-7,10,12,15H,1-3,8-9H2
InChIKeyDXUNVLFMRSAUBB-UHFFFAOYSA-N
MW240.73 g/mol
LogP3.27
Rot. Bonds5

About 1-(4-chlorophenoxy)-3-cyclobutylpropan-2-ol

1-(4-chlorophenoxy)-3-cyclobutylpropan-2-ol (PubChem CID 105100781) has the molecular formula C13H17ClO2 and a molecular weight of 240.73 g/mol. Its IUPAC name is 1-(4-chlorophenoxy)-3-cyclobutylpropan-2-ol.

Molecular Properties

Compound Name1-(4-chlorophenoxy)-3-cyclobutylpropan-2-ol
PubChem CID105100781
Molecular FormulaC13H17ClO2
Molecular Weight240.73 g/mol
Exact Mass240.09
IUPAC Name1-(4-chlorophenoxy)-3-cyclobutylpropan-2-ol
SMILESOC(COc1ccc(Cl)cc1)CC1CCC1
InChIInChI=1S/C13H17ClO2/c14-11-4-6-13(7-5-11)16-9-12(15)8-10-2-1-3-10/h4-7,10,12,15H,1-3,8-9H2
InChIKeyDXUNVLFMRSAUBB-UHFFFAOYSA-N
XLogP3.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-3-[4-(1-hydroxyethyl)phenoxy]propan-2-ol
CID 103158944
1-cyclopentyl-3-(4-ethylphenoxy)propan-2-ol
CID 103160577
2-(4-chlorophenoxy)-1-cycloheptylethanol
CID 105122069
1-(4-chlorophenyl)-3-cyclobutylpropan-2-ol
CID 65457870
[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-cyclopentylazanium
CID 7473337
1-(4-chlorophenoxy)-3-(cyclooctylamino)propan-2-ol
CID 60635581
[2-(4-chlorophenoxy)-1-cyclobutylethyl]hydrazine
CID 105340102
2-[4-(3-cyclopentyl-2-hydroxypropoxy)phenyl]acetonitrile
CID 103158515
(2S)-1-amino-3-(4-chlorophenoxy)propan-2-ol
CID 2049238
3-(4-chlorophenoxy)-2-cyclobutylpropanoic acid
CID 117245736
1-cyclopentyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-2-ol
CID 103160587
methyl 4-(3-cyclopentyl-2-hydroxypropoxy)benzoate
CID 103156169

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenoxy)-3-cyclobutylpropan-2-ol?
The IUPAC name of 1-(4-chlorophenoxy)-3-cyclobutylpropan-2-ol (CID 105100781) is 1-(4-chlorophenoxy)-3-cyclobutylpropan-2-ol.
What is the SMILES notation for 1-(4-chlorophenoxy)-3-cyclobutylpropan-2-ol?
The canonical SMILES for 1-(4-chlorophenoxy)-3-cyclobutylpropan-2-ol is OC(COc1ccc(Cl)cc1)CC1CCC1.
What is the InChIKey of 1-(4-chlorophenoxy)-3-cyclobutylpropan-2-ol?
The InChIKey is DXUNVLFMRSAUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClO2/c14-11-4-6-13(7-5-11)16-9-12(15)8-10-2-1-3-10/h4-7,10,12,15H,1-3,8-9H2.
What are the key properties of 1-(4-chlorophenoxy)-3-cyclobutylpropan-2-ol?
1-(4-chlorophenoxy)-3-cyclobutylpropan-2-ol has a molecular weight of 240.73 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenoxy)-3-cyclobutylpropan-2-ol is sourced from PubChem (CID 105100781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).