Structure Database (LMSD)
Common Name
3-(pentadecyl)-catechol
Systematic Name
3-pentadecylbenzene-1,2-diol
Synonyms
3D model of 3-(pentadecyl)-catechol
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
DQTMTQZSOJMZSF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(22)21(19)23/h15,17-18,22-23H,2-14,16H2,1H3
SMILES (Click to copy)
C1C=C(CCCCCCCCCCCCCCC)C(O)=C(O)C=1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
23
Rings
1
Aromatic Rings
1
Rotatable Bonds
14
Van der Waals Molecular Volume
358.26
Topological Polar Surface Area
40.46
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
2
logP
6.73
Molar Refractivity
99.17
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Created at
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Updated at
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