(1R,2S,4S)-6-chloro-7-oxabicyclo[2.2.1]hept-5-en-2-ol

C6H7ClO2 — CID 14558562

IUPAC(1R,2S,4S)-6-chloro-7-oxabicyclo[2.2.1]hept-5-en-2-ol
SMILESO[C@H]1C[C@H]2C=C(Cl)[C@@H]1O2
InChIInChI=1S/C6H7ClO2/c7-4-1-3-2-5(8)6(4)9-3/h1,3,5-6,8H,2H2/t3-,5+,6+/m1/s1
InChIKeyFSSAIVJCWAVYKJ-PYWDMBMJSA-N
MW146.57 g/mol
LogP0.64
Rot. Bonds

About (1R,2S,4S)-6-chloro-7-oxabicyclo[2.2.1]hept-5-en-2-ol

(1R,2S,4S)-6-chloro-7-oxabicyclo[2.2.1]hept-5-en-2-ol (PubChem CID 14558562) has the molecular formula C6H7ClO2 and a molecular weight of 146.57 g/mol. Its IUPAC name is (1R,2S,4S)-6-chloro-7-oxabicyclo[2.2.1]hept-5-en-2-ol.

Molecular Properties

Compound Name(1R,2S,4S)-6-chloro-7-oxabicyclo[2.2.1]hept-5-en-2-ol
PubChem CID14558562
Molecular FormulaC6H7ClO2
Molecular Weight146.57 g/mol
Exact Mass146.01
IUPAC Name(1R,2S,4S)-6-chloro-7-oxabicyclo[2.2.1]hept-5-en-2-ol
SMILESO[C@H]1C[C@H]2C=C(Cl)[C@@H]1O2
InChIInChI=1S/C6H7ClO2/c7-4-1-3-2-5(8)6(4)9-3/h1,3,5-6,8H,2H2/t3-,5+,6+/m1/s1
InChIKeyFSSAIVJCWAVYKJ-PYWDMBMJSA-N
XLogP0.64
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.57
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2R,3S,4S)-7-oxabicyclo[2.2.1]hept-5-ene-2,3-diol
CID 11557285
7-Oxabicyclo[2.2.1]hept-5-ene-2,3-diol
CID 349712
(1R,2R,4R)-5-chloro-7-oxabicyclo[2.2.1]hept-5-en-2-ol
CID 14558543
(1R,2S,4R)-5-chloro-7-oxabicyclo[2.2.1]hept-5-en-2-ol
CID 130755612
(2R,3S)-7-oxabicyclo[2.2.1]hept-5-ene-2,3-diol
CID 133633629
(3aS,4S,7aS)-7-chloro-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-ol
CID 139262746
2-[(2-Chlorocyclohex-2-en-1-yl)oxy]ethanol
CID 287990
(1R,2S,3R,4S)-7-oxabicyclo[2.2.1]hept-5-ene-2,3-diol
CID 11506453
7-Oxabicyclo[2.2.1]hept-5-en-2-ol
CID 13974331
(1R,2R,4R)-7-oxabicyclo[2.2.1]hept-5-en-2-ol
CID 13974332
(1S,2S,4S)-7-oxabicyclo[2.2.1]hept-5-en-2-ol
CID 13974333
(1R,2R,3S,6S)-4-chloro-7-oxabicyclo[4.1.0]hept-4-ene-2,3-diol
CID 130831296

Frequently Asked Questions

What is the IUPAC name of (1R,2S,4S)-6-chloro-7-oxabicyclo[2.2.1]hept-5-en-2-ol?
The IUPAC name of (1R,2S,4S)-6-chloro-7-oxabicyclo[2.2.1]hept-5-en-2-ol (CID 14558562) is (1R,2S,4S)-6-chloro-7-oxabicyclo[2.2.1]hept-5-en-2-ol.
What is the SMILES notation for (1R,2S,4S)-6-chloro-7-oxabicyclo[2.2.1]hept-5-en-2-ol?
The canonical SMILES for (1R,2S,4S)-6-chloro-7-oxabicyclo[2.2.1]hept-5-en-2-ol is O[C@H]1C[C@H]2C=C(Cl)[C@@H]1O2.
What is the InChIKey of (1R,2S,4S)-6-chloro-7-oxabicyclo[2.2.1]hept-5-en-2-ol?
The InChIKey is FSSAIVJCWAVYKJ-PYWDMBMJSA-N. The full InChI is InChI=1S/C6H7ClO2/c7-4-1-3-2-5(8)6(4)9-3/h1,3,5-6,8H,2H2/t3-,5+,6+/m1/s1.
What are the key properties of (1R,2S,4S)-6-chloro-7-oxabicyclo[2.2.1]hept-5-en-2-ol?
(1R,2S,4S)-6-chloro-7-oxabicyclo[2.2.1]hept-5-en-2-ol has a molecular weight of 146.57 g/mol, XLogP of 0.64, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4S)-6-chloro-7-oxabicyclo[2.2.1]hept-5-en-2-ol is sourced from PubChem (CID 14558562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).