Title: 3D property
Long Title: IUPAC Gold Book - 3D property
DOI: 10.1351/goldbook.11400
Status: current

Definition
A property that is observed or calculated from a 3D representation of a molecule, which may depend on one or more conformations of the molecule.

Example
Dipole moment, polar surface area, distances between key atoms, or the vector of electrostatic interaction energy calculated at a number of points surrounding the molecule.

Related Term
- polar surface area: https://goldbook.iupac.org//terms/view/11490

Source
- PAC, 2016, 88, 239. 'Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015)' on page 240 (https://doi.org/10.1515/pac-2012-1204)

Other Outputs
- html: https://goldbook.iupac.org/terms/view/11400/html
- json: https://goldbook.iupac.org/terms/view/11400/json
- xml: https://goldbook.iupac.org/terms/view/11400/xml

Citation: Citation: '3D property' in IUPAC Compendium of Chemical Terminology, 5th ed. International Union of Pure and Applied Chemistry; 2025. Online version 5.0.0, 2025. 10.1351/goldbook.11400
License: The IUPAC Gold Book is licensed under Creative Commons Attribution-ShareAlike CC BY-SA 4.0 International (https://creativecommons.org/licenses/by-sa/4.0/) for individual terms.
Collection: If you are interested in licensing the Gold Book for commercial use, please contact the IUPAC Executive Director at executivedirector@iupac.org .
Disclaimer: The International Union of Pure and Applied Chemistry (IUPAC) is continuously reviewing and, where needed, updating terms in the Compendium of Chemical Terminology (the IUPAC Gold Book). Users of these terms are encouraged to include the version of a term with its use and to check regularly for updates to term definitions that you are using.
Accessed: 2026-08-06T15:37:16+00:00