(1S,2R,4S,5R)-5-(hydroxymethyl)bicyclo[2.2.1]heptan-2-ol

C8H14O2 — CID 131196259

IUPAC(1S,2R,4S,5R)-5-(hydroxymethyl)bicyclo[2.2.1]heptan-2-ol
SMILESOC[C@@H]1C[C@@H]2C[C@H]1C[C@H]2O
InChIInChI=1S/C8H14O2/c9-4-7-2-6-1-5(7)3-8(6)10/h5-10H,1-4H2/t5-,6-,7-,8+/m0/s1
InChIKeyFOABKXGCXGFGFT-DKXJUACHSA-N
MW142.20 g/mol
LogP0.39
Rot. Bonds1

About (1S,2R,4S,5R)-5-(hydroxymethyl)bicyclo[2.2.1]heptan-2-ol

(1S,2R,4S,5R)-5-(hydroxymethyl)bicyclo[2.2.1]heptan-2-ol (PubChem CID 131196259) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (1S,2R,4S,5R)-5-(hydroxymethyl)bicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name(1S,2R,4S,5R)-5-(hydroxymethyl)bicyclo[2.2.1]heptan-2-ol
PubChem CID131196259
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(1S,2R,4S,5R)-5-(hydroxymethyl)bicyclo[2.2.1]heptan-2-ol
SMILESOC[C@@H]1C[C@@H]2C[C@H]1C[C@H]2O
InChIInChI=1S/C8H14O2/c9-4-7-2-6-1-5(7)3-8(6)10/h5-10H,1-4H2/t5-,6-,7-,8+/m0/s1
InChIKeyFOABKXGCXGFGFT-DKXJUACHSA-N
XLogP0.39
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R,2R,4R,5R)-5-(hydroxymethyl)-2-bicyclo[2.2.2]octanyl]methanol
CID 130977937
(1S,2S,4R)-4-cyclooctyl-2-(hydroxymethyl)cyclopentan-1-ol
CID 67518986
5-(hydroxymethyl)cyclohexane-1,2,4-triol
CID 148585059
cis-(1S,4R)-4-amino-2-(hydroxymethyl)cyclopentan-1-ol
CID 134358361
4-(hydroxymethyl)-6-azabicyclo[3.1.1]heptan-2-ol
CID 176808725
(1S,2S,3R,4R)-4-(hydroxymethyl)cyclopentane-1,2,3-triol
CID 10920662
[(2S)-2-(hydroxymethyl)cyclopropyl]methanol
CID 67842260
4-(hydroxymethyl)cyclopentane-1,3-diol
CID 57158544
(1S,3R,4R)-5-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
CID 176819979
(1S,2S,3S,4S,5R)-5-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
CID 11332802
(2-phenyl-6-bicyclo[3.2.1]octanyl)methanol
CID 123628380
[(4R)-5-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate
CID 155418776

Frequently Asked Questions

What is the IUPAC name of (1S,2R,4S,5R)-5-(hydroxymethyl)bicyclo[2.2.1]heptan-2-ol?
The IUPAC name of (1S,2R,4S,5R)-5-(hydroxymethyl)bicyclo[2.2.1]heptan-2-ol (CID 131196259) is (1S,2R,4S,5R)-5-(hydroxymethyl)bicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for (1S,2R,4S,5R)-5-(hydroxymethyl)bicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for (1S,2R,4S,5R)-5-(hydroxymethyl)bicyclo[2.2.1]heptan-2-ol is OC[C@@H]1C[C@@H]2C[C@H]1C[C@H]2O.
What is the InChIKey of (1S,2R,4S,5R)-5-(hydroxymethyl)bicyclo[2.2.1]heptan-2-ol?
The InChIKey is FOABKXGCXGFGFT-DKXJUACHSA-N. The full InChI is InChI=1S/C8H14O2/c9-4-7-2-6-1-5(7)3-8(6)10/h5-10H,1-4H2/t5-,6-,7-,8+/m0/s1.
What are the key properties of (1S,2R,4S,5R)-5-(hydroxymethyl)bicyclo[2.2.1]heptan-2-ol?
(1S,2R,4S,5R)-5-(hydroxymethyl)bicyclo[2.2.1]heptan-2-ol has a molecular weight of 142.20 g/mol, XLogP of 0.39, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4S,5R)-5-(hydroxymethyl)bicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 131196259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).