2-cyclopropyl-2-(hydroxymethyl)propane-1,3-diol

C7H14O3 — CID 19767481

IUPAC2-cyclopropyl-2-(hydroxymethyl)propane-1,3-diol
SMILESOCC(CO)(CO)C1CC1
InChIInChI=1S/C7H14O3/c8-3-7(4-9,5-10)6-1-2-6/h6,8-10H,1-5H2
InChIKeyZXAYCCTUDOEWAI-UHFFFAOYSA-N
MW146.19 g/mol
LogP-0.64
Rot. Bonds4

About 2-cyclopropyl-2-(hydroxymethyl)propane-1,3-diol

2-cyclopropyl-2-(hydroxymethyl)propane-1,3-diol (PubChem CID 19767481) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is 2-cyclopropyl-2-(hydroxymethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-cyclopropyl-2-(hydroxymethyl)propane-1,3-diol
PubChem CID19767481
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name2-cyclopropyl-2-(hydroxymethyl)propane-1,3-diol
SMILESOCC(CO)(CO)C1CC1
InChIInChI=1S/C7H14O3/c8-3-7(4-9,5-10)6-1-2-6/h6,8-10H,1-5H2
InChIKeyZXAYCCTUDOEWAI-UHFFFAOYSA-N
XLogP-0.64
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-cyclopropyl-2-(hydroxymethyl)propane-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,2-Dimethylcyclopropyl)methanol
CID 534235
2-Cyclopropyl-2-methylpropan-1-ol
CID 83151608
[(1S,3R)-3-(hydroxymethyl)-2,2-dimethylcyclopropyl]methanol
CID 14320849
(1,2-Dimethylcyclopropyl)methanol
CID 19437298
(1,2,2-Trimethylcyclopropyl)methanol
CID 15129466
[1-(Hydroxymethyl)-2-(trifluoromethyl)cyclopropyl]methanol
CID 146155789
[(1S)-2,2-dimethylcyclopropyl]methanol
CID 11105320
[2,2-Bis(fluoromethyl)cyclopropyl]methanol
CID 90019806
2-Tert-butylcyclopropan-1-ol
CID 13359319
2-Tert-butyl-2-deuteriocyclopropan-1-ol
CID 158403560
[2-(Hydroxymethyl)-2-bicyclo[1.1.0]butanyl]methanol
CID 91031707
rac-(1R,2S)-2-tert-butylcyclopropan-1-ol
CID 162418465

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(hydroxymethyl)propane-1,3-diol?
The IUPAC name of 2-cyclopropyl-2-(hydroxymethyl)propane-1,3-diol (CID 19767481) is 2-cyclopropyl-2-(hydroxymethyl)propane-1,3-diol.
What is the SMILES notation for 2-cyclopropyl-2-(hydroxymethyl)propane-1,3-diol?
The canonical SMILES for 2-cyclopropyl-2-(hydroxymethyl)propane-1,3-diol is OCC(CO)(CO)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(hydroxymethyl)propane-1,3-diol?
The InChIKey is ZXAYCCTUDOEWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c8-3-7(4-9,5-10)6-1-2-6/h6,8-10H,1-5H2.
What are the key properties of 2-cyclopropyl-2-(hydroxymethyl)propane-1,3-diol?
2-cyclopropyl-2-(hydroxymethyl)propane-1,3-diol has a molecular weight of 146.19 g/mol, XLogP of -0.64, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(hydroxymethyl)propane-1,3-diol is sourced from PubChem (CID 19767481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).