(1S,2S,4S)-2-(2-hydroxyethyl)bicyclo[2.2.1]heptan-2-ol

C9H16O2 — CID 130877530

IUPAC(1S,2S,4S)-2-(2-hydroxyethyl)bicyclo[2.2.1]heptan-2-ol
SMILESOCC[C@@]1(O)C[C@H]2CC[C@H]1C2
InChIInChI=1S/C9H16O2/c10-4-3-9(11)6-7-1-2-8(9)5-7/h7-8,10-11H,1-6H2/t7-,8-,9+/m0/s1
InChIKeyVJRJZWQCXFZQAS-XHNCKOQMSA-N
MW156.22 g/mol
LogP0.92
Rot. Bonds2

About (1S,2S,4S)-2-(2-hydroxyethyl)bicyclo[2.2.1]heptan-2-ol

(1S,2S,4S)-2-(2-hydroxyethyl)bicyclo[2.2.1]heptan-2-ol (PubChem CID 130877530) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (1S,2S,4S)-2-(2-hydroxyethyl)bicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name(1S,2S,4S)-2-(2-hydroxyethyl)bicyclo[2.2.1]heptan-2-ol
PubChem CID130877530
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(1S,2S,4S)-2-(2-hydroxyethyl)bicyclo[2.2.1]heptan-2-ol
SMILESOCC[C@@]1(O)C[C@H]2CC[C@H]1C2
InChIInChI=1S/C9H16O2/c10-4-3-9(11)6-7-1-2-8(9)5-7/h7-8,10-11H,1-6H2/t7-,8-,9+/m0/s1
InChIKeyVJRJZWQCXFZQAS-XHNCKOQMSA-N
XLogP0.92
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2S,4S)-2-(2-aminoethyl)bicyclo[2.2.1]heptan-2-ol
CID 124594733
1-(2-hydroxy-2-bicyclo[2.2.1]heptanyl)propan-2-one
CID 130036822
2-[4-(oxan-4-yl)butyl]bicyclo[2.2.1]heptan-2-ol
CID 114191769
3-(2-methyl-2-bicyclo[2.2.1]heptanyl)propan-1-ol
CID 168807164
1-(2-hydroxyethyl)-2-methylcyclopropan-1-ol
CID 56622517
ethyl 2-(2-hydroxy-2-bicyclo[2.2.1]heptanyl)acetate
CID 14958327
[2-(3-methylbutan-2-yl)-2-bicyclo[2.2.1]heptanyl]methanol
CID 130706865
[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanol
CID 105430374
2-(6-hydroxy-6-bicyclo[3.2.1]octanyl)ethyl 2,2-dimethylpropanoate
CID 163413781
2-(3-hydroxypropyl)adamantan-2-ol
CID 14913337
(1S,4R)-2-methylbicyclo[2.2.1]heptan-2-ol
CID 134981260
2-spiro[bicyclo[2.2.1]heptane-2,3'-cyclopentane]-1'-ylethanol
CID 156535894

Frequently Asked Questions

What is the IUPAC name of (1S,2S,4S)-2-(2-hydroxyethyl)bicyclo[2.2.1]heptan-2-ol?
The IUPAC name of (1S,2S,4S)-2-(2-hydroxyethyl)bicyclo[2.2.1]heptan-2-ol (CID 130877530) is (1S,2S,4S)-2-(2-hydroxyethyl)bicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for (1S,2S,4S)-2-(2-hydroxyethyl)bicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for (1S,2S,4S)-2-(2-hydroxyethyl)bicyclo[2.2.1]heptan-2-ol is OCC[C@@]1(O)C[C@H]2CC[C@H]1C2.
What is the InChIKey of (1S,2S,4S)-2-(2-hydroxyethyl)bicyclo[2.2.1]heptan-2-ol?
The InChIKey is VJRJZWQCXFZQAS-XHNCKOQMSA-N. The full InChI is InChI=1S/C9H16O2/c10-4-3-9(11)6-7-1-2-8(9)5-7/h7-8,10-11H,1-6H2/t7-,8-,9+/m0/s1.
What are the key properties of (1S,2S,4S)-2-(2-hydroxyethyl)bicyclo[2.2.1]heptan-2-ol?
(1S,2S,4S)-2-(2-hydroxyethyl)bicyclo[2.2.1]heptan-2-ol has a molecular weight of 156.22 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4S)-2-(2-hydroxyethyl)bicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 130877530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).