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

C13H17ClO — CID 65457870

IUPAC1-(4-chlorophenyl)-3-cyclobutylpropan-2-ol
SMILESOC(Cc1ccc(Cl)cc1)CC1CCC1
InChIInChI=1S/C13H17ClO/c14-12-6-4-11(5-7-12)9-13(15)8-10-2-1-3-10/h4-7,10,13,15H,1-3,8-9H2
InChIKeyXABOVTRPJSMFAN-UHFFFAOYSA-N
MW224.73 g/mol
LogP3.43
Rot. Bonds4

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

1-(4-chlorophenyl)-3-cyclobutylpropan-2-ol (PubChem CID 65457870) has the molecular formula C13H17ClO and a molecular weight of 224.73 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-cyclobutylpropan-2-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-cyclobutylpropan-2-ol
PubChem CID65457870
Molecular FormulaC13H17ClO
Molecular Weight224.73 g/mol
Exact Mass224.10
IUPAC Name1-(4-chlorophenyl)-3-cyclobutylpropan-2-ol
SMILESOC(Cc1ccc(Cl)cc1)CC1CCC1
InChIInChI=1S/C13H17ClO/c14-12-6-4-11(5-7-12)9-13(15)8-10-2-1-3-10/h4-7,10,13,15H,1-3,8-9H2
InChIKeyXABOVTRPJSMFAN-UHFFFAOYSA-N
XLogP3.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclobutyl-3-pyridin-4-ylpropan-2-ol
CID 65457180
1-cyclopentyl-3-(3,4-dichlorophenyl)propan-2-ol
CID 63411016
1-(4-chlorophenoxy)-3-cyclobutylpropan-2-ol
CID 105100781
1,3-bis(4-chlorophenyl)propan-2-ol
CID 19824078
1-cyclohexyl-3-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 63520008
1-(4-chlorophenyl)-3-cyclopentylsulfanylpropan-2-ol
CID 65138542
1-cyclopentyl-3-[4-(trifluoromethoxy)phenyl]propan-2-ol
CID 115787261
1-cyclopentyl-3-(3,5-dimethylphenyl)propan-2-ol
CID 62607509
1-(4-bromophenyl)-3-(thian-4-yl)propan-2-ol
CID 105077414
1-(4-chlorophenyl)-3-(4-methylphenyl)propan-2-ol
CID 60798023
1-(2-chloro-3-fluorophenyl)-3-cycloheptylpropan-2-ol
CID 115831211
1-(3-chlorophenyl)-3-(thian-4-yl)propan-2-ol
CID 105076726

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-cyclobutylpropan-2-ol?
The IUPAC name of 1-(4-chlorophenyl)-3-cyclobutylpropan-2-ol (CID 65457870) is 1-(4-chlorophenyl)-3-cyclobutylpropan-2-ol.
What is the SMILES notation for 1-(4-chlorophenyl)-3-cyclobutylpropan-2-ol?
The canonical SMILES for 1-(4-chlorophenyl)-3-cyclobutylpropan-2-ol is OC(Cc1ccc(Cl)cc1)CC1CCC1.
What is the InChIKey of 1-(4-chlorophenyl)-3-cyclobutylpropan-2-ol?
The InChIKey is XABOVTRPJSMFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClO/c14-12-6-4-11(5-7-12)9-13(15)8-10-2-1-3-10/h4-7,10,13,15H,1-3,8-9H2.
What are the key properties of 1-(4-chlorophenyl)-3-cyclobutylpropan-2-ol?
1-(4-chlorophenyl)-3-cyclobutylpropan-2-ol has a molecular weight of 224.73 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-cyclobutylpropan-2-ol is sourced from PubChem (CID 65457870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).