bicyclo[2.2.1]heptane-2,5,7-triol

C7H12O3 — CID 22290058

IUPACbicyclo[2.2.1]heptane-2,5,7-triol
SMILESOC1CC2C(O)CC1C2O
InChIInChI=1S/C7H12O3/c8-5-1-3-6(9)2-4(5)7(3)10/h3-10H,1-2H2
InChIKeyYMASSALSDPNFHP-UHFFFAOYSA-N
MW144.17 g/mol
LogP-0.89
Rot. Bonds

About bicyclo[2.2.1]heptane-2,5,7-triol

bicyclo[2.2.1]heptane-2,5,7-triol (PubChem CID 22290058) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is bicyclo[2.2.1]heptane-2,5,7-triol.

Molecular Properties

Compound Namebicyclo[2.2.1]heptane-2,5,7-triol
PubChem CID22290058
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Namebicyclo[2.2.1]heptane-2,5,7-triol
SMILESOC1CC2C(O)CC1C2O
InChIInChI=1S/C7H12O3/c8-5-1-3-6(9)2-4(5)7(3)10/h3-10H,1-2H2
InChIKeyYMASSALSDPNFHP-UHFFFAOYSA-N
XLogP-0.89
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze bicyclo[2.2.1]heptane-2,5,7-triol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.1]heptane-2,5,7-triol?
The IUPAC name of bicyclo[2.2.1]heptane-2,5,7-triol (CID 22290058) is bicyclo[2.2.1]heptane-2,5,7-triol.
What is the SMILES notation for bicyclo[2.2.1]heptane-2,5,7-triol?
The canonical SMILES for bicyclo[2.2.1]heptane-2,5,7-triol is OC1CC2C(O)CC1C2O.
What is the InChIKey of bicyclo[2.2.1]heptane-2,5,7-triol?
The InChIKey is YMASSALSDPNFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c8-5-1-3-6(9)2-4(5)7(3)10/h3-10H,1-2H2.
What are the key properties of bicyclo[2.2.1]heptane-2,5,7-triol?
bicyclo[2.2.1]heptane-2,5,7-triol has a molecular weight of 144.17 g/mol, XLogP of -0.89, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.1]heptane-2,5,7-triol is sourced from PubChem (CID 22290058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).