1-(hydroxymethyl)bicyclo[2.1.1]hexan-5-ol

C7H12O2 — CID 85373343

IUPAC1-(hydroxymethyl)bicyclo[2.1.1]hexan-5-ol
SMILESOCC12CCC(C1)C2O
InChIInChI=1S/C7H12O2/c8-4-7-2-1-5(3-7)6(7)9/h5-6,8-9H,1-4H2
InChIKeyCZECPMGOHMUGCL-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.14
Rot. Bonds1

About 1-(hydroxymethyl)bicyclo[2.1.1]hexan-5-ol

1-(hydroxymethyl)bicyclo[2.1.1]hexan-5-ol (PubChem CID 85373343) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 1-(hydroxymethyl)bicyclo[2.1.1]hexan-5-ol.

Molecular Properties

Compound Name1-(hydroxymethyl)bicyclo[2.1.1]hexan-5-ol
PubChem CID85373343
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name1-(hydroxymethyl)bicyclo[2.1.1]hexan-5-ol
SMILESOCC12CCC(C1)C2O
InChIInChI=1S/C7H12O2/c8-4-7-2-1-5(3-7)6(7)9/h5-6,8-9H,1-4H2
InChIKeyCZECPMGOHMUGCL-UHFFFAOYSA-N
XLogP0.14
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(hydroxymethyl)bicyclo[2.1.1]hexan-5-ol 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

[(1S,2R,4R,5S)-1-tricyclo[3.2.1.02,4]octanyl]methanol
CID 12644101
(1R,11R,15S)-1-(hydroxymethyl)bicyclo[9.3.1]pentadecan-15-ol
CID 139068492
(2S,5S,7S)-1-(hydroxymethyl)adamantan-2-ol
CID 124583912
(5S,7R)-1-(hydroxymethyl)adamantan-2-ol
CID 102508156
[(2R,4R)-3,3-dimethyl-1-tricyclo[3.2.2.02,4]nonanyl]methanol
CID 7188315
2,3-dihydroxybicyclo[2.2.1]heptane-1-carboxylic acid
CID 140997258
[(2R,4S)-3,3-dimethyl-1-tricyclo[3.2.2.02,4]nonanyl]methanol
CID 11889225
(1R,5S,9S)-1-(hydroxymethyl)-3-azabicyclo[3.3.1]nonan-9-ol
CID 131096610
8-hydroxy-3-azabicyclo[3.2.1]octane-1-carboxylic acid
CID 130002685
3-(6-chloropurin-9-yl)-1-(hydroxymethyl)bicyclo[3.2.1]octan-8-ol
CID 134844933
(1S,2R,4S)-3,3,4-trimethylbicyclo[2.2.1]heptan-2-ol
CID 129408816
(3aS,6aS)-6a-(hydroxymethyl)-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-ol
CID 131201463

Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethyl)bicyclo[2.1.1]hexan-5-ol?
The IUPAC name of 1-(hydroxymethyl)bicyclo[2.1.1]hexan-5-ol (CID 85373343) is 1-(hydroxymethyl)bicyclo[2.1.1]hexan-5-ol.
What is the SMILES notation for 1-(hydroxymethyl)bicyclo[2.1.1]hexan-5-ol?
The canonical SMILES for 1-(hydroxymethyl)bicyclo[2.1.1]hexan-5-ol is OCC12CCC(C1)C2O.
What is the InChIKey of 1-(hydroxymethyl)bicyclo[2.1.1]hexan-5-ol?
The InChIKey is CZECPMGOHMUGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c8-4-7-2-1-5(3-7)6(7)9/h5-6,8-9H,1-4H2.
What are the key properties of 1-(hydroxymethyl)bicyclo[2.1.1]hexan-5-ol?
1-(hydroxymethyl)bicyclo[2.1.1]hexan-5-ol has a molecular weight of 128.17 g/mol, XLogP of 0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethyl)bicyclo[2.1.1]hexan-5-ol is sourced from PubChem (CID 85373343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).