(2S)-1-[3-(2-chlorophenyl)phenyl]pentan-2-ol

C17H19ClO — CID 71163569

IUPAC(2S)-1-[3-(2-chlorophenyl)phenyl]pentan-2-ol
SMILESCCC[C@H](O)Cc1cccc(-c2ccccc2Cl)c1
InChIInChI=1S/C17H19ClO/c1-2-6-15(19)12-13-7-5-8-14(11-13)16-9-3-4-10-17(16)18/h3-5,7-11,15,19H,2,6,12H2,1H3/t15-/m0/s1
InChIKeyWGRIHOGDGBREDP-HNNXBMFYSA-N
MW274.79 g/mol
LogP4.71
Rot. Bonds5

About (2S)-1-[3-(2-chlorophenyl)phenyl]pentan-2-ol

(2S)-1-[3-(2-chlorophenyl)phenyl]pentan-2-ol (PubChem CID 71163569) has the molecular formula C17H19ClO and a molecular weight of 274.79 g/mol. Its IUPAC name is (2S)-1-[3-(2-chlorophenyl)phenyl]pentan-2-ol.

Molecular Properties

Compound Name(2S)-1-[3-(2-chlorophenyl)phenyl]pentan-2-ol
PubChem CID71163569
Molecular FormulaC17H19ClO
Molecular Weight274.79 g/mol
Exact Mass274.11
IUPAC Name(2S)-1-[3-(2-chlorophenyl)phenyl]pentan-2-ol
SMILESCCC[C@H](O)Cc1cccc(-c2ccccc2Cl)c1
InChIInChI=1S/C17H19ClO/c1-2-6-15(19)12-13-7-5-8-14(11-13)16-9-3-4-10-17(16)18/h3-5,7-11,15,19H,2,6,12H2,1H3/t15-/m0/s1
InChIKeyWGRIHOGDGBREDP-HNNXBMFYSA-N
XLogP4.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.79
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[3-(2-chlorophenyl)phenyl]pentan-2-ol?
The IUPAC name of (2S)-1-[3-(2-chlorophenyl)phenyl]pentan-2-ol (CID 71163569) is (2S)-1-[3-(2-chlorophenyl)phenyl]pentan-2-ol.
What is the SMILES notation for (2S)-1-[3-(2-chlorophenyl)phenyl]pentan-2-ol?
The canonical SMILES for (2S)-1-[3-(2-chlorophenyl)phenyl]pentan-2-ol is CCC[C@H](O)Cc1cccc(-c2ccccc2Cl)c1.
What is the InChIKey of (2S)-1-[3-(2-chlorophenyl)phenyl]pentan-2-ol?
The InChIKey is WGRIHOGDGBREDP-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H19ClO/c1-2-6-15(19)12-13-7-5-8-14(11-13)16-9-3-4-10-17(16)18/h3-5,7-11,15,19H,2,6,12H2,1H3/t15-/m0/s1.
What are the key properties of (2S)-1-[3-(2-chlorophenyl)phenyl]pentan-2-ol?
(2S)-1-[3-(2-chlorophenyl)phenyl]pentan-2-ol has a molecular weight of 274.79 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[3-(2-chlorophenyl)phenyl]pentan-2-ol is sourced from PubChem (CID 71163569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).