Molecular properties
- Formula
- C3H8O
- Molar mass
- 60.10 g·mol−1
- Exact mass
- 60.0575 Da
- 0
- 1
- 1
- 20.20 Ų
- 0.3 (PubChem computed XLogP3-AA descriptor)
- CAS
- 67-63-0
- PubChem CID
- 3776
Molecule record
Isopropanol
C3H8O
60.10 g/mol
Show IUPAC name
IUPAC name
Propan-2-ol
Interactions
- Polarity
- Often polar; exact polarity depends on size, substitution, and ionization state.
- Acid-base behavior
- Review ionizable groups and pKa data where available; ChemForge does not infer definitive acid-base state from identity alone.
- Intermolecular forces
- Assess dispersion, dipole interactions, hydrogen bonding, and ionic character from the functional groups shown.
Functional groups
Alcohol
Physical properties
| Property | Value | Conditions | Source |
|---|---|---|---|
| Logp | 0.3 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 1-Methylethanol
- 2-Hydroxypropane
- 2-Propanol
- 2-Propanol
- 2-Propyl alcohol
- 67-63-0
- Alcojel
- Alcolo
Show all 22 synonyms
- Alkolave
- Avantin
- Avantine
- Dimethylcarbinol
- Hartosol
- Isohol
- Isopropyl alcohol
- Lavacol
- Lutosol
- Petrohol
- Propol
- Takineocol
- i-Propanol
- sec-Propyl alcohol
Structure identifiers
- Canonical SMILES
- CC(C)O
- Isomeric SMILES
- CC(C)O
- InChI
- InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3
- InChIKey
- KFZMGEQAYNKOFK-UHFFFAOYSA-N
- PubChem CID
- 3776
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
Simulated FTIR trace
Predicted FTIR / %T
4 cm-1 resolution / deterministic instrument profile
Hover for cursor
Peak assignments
3350 cm−1broad O-H (simulated)
2960 cm−1sp3 C-H (simulated)
Simulated NMR
On-demand educational prediction for Isopropanol; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for Isopropanol; not experimental data.
Sources
Molecule identity
Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.
simulated IR
ChemForge original educational simulation.