[(2R,3S,5R)-3-chloro-5-ethoxyoxolan-2-yl]methanol

C7H13ClO3 — CID 130870867

IUPAC[(2R,3S,5R)-3-chloro-5-ethoxyoxolan-2-yl]methanol
SMILESCCO[C@H]1C[C@H](Cl)[C@@H](CO)O1
InChIInChI=1S/C7H13ClO3/c1-2-10-7-3-5(8)6(4-9)11-7/h5-7,9H,2-4H2,1H3/t5-,6+,7+/m0/s1
InChIKeyJWIQRZDFECMYDO-RRKCRQDMSA-N
MW180.63 g/mol
LogP0.74
Rot. Bonds3

About [(2R,3S,5R)-3-chloro-5-ethoxyoxolan-2-yl]methanol

[(2R,3S,5R)-3-chloro-5-ethoxyoxolan-2-yl]methanol (PubChem CID 130870867) has the molecular formula C7H13ClO3 and a molecular weight of 180.63 g/mol. Its IUPAC name is [(2R,3S,5R)-3-chloro-5-ethoxyoxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3S,5R)-3-chloro-5-ethoxyoxolan-2-yl]methanol
PubChem CID130870867
Molecular FormulaC7H13ClO3
Molecular Weight180.63 g/mol
Exact Mass180.06
IUPAC Name[(2R,3S,5R)-3-chloro-5-ethoxyoxolan-2-yl]methanol
SMILESCCO[C@H]1C[C@H](Cl)[C@@H](CO)O1
InChIInChI=1S/C7H13ClO3/c1-2-10-7-3-5(8)6(4-9)11-7/h5-7,9H,2-4H2,1H3/t5-,6+,7+/m0/s1
InChIKeyJWIQRZDFECMYDO-RRKCRQDMSA-N
XLogP0.74
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.63
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[(2R,3S)-5-ethoxy-3-fluorooxolan-2-yl]methanol
CID 11030161
(2R,3S,6R)-6-ethoxy-2-(hydroxymethyl)oxan-3-ol
CID 54321691
(3S,6S)-6-[(6-ethoxy-4-hydroxyoxan-2-yl)methoxy]-2-(hydroxymethyl)oxane-3,4-diol
CID 177228824
2-(hydroxymethyl)-6-propoxyoxane-3,4-diol
CID 154980808
(3-ethoxy-5-methyloxolan-2-yl)methanol
CID 59687260
2-ethoxy-6-(hydroxymethyl)oxane-3,5-diol
CID 18974249
(2R,5S)-5-ethoxy-2,6-bis(hydroxymethyl)oxane-3,4-diol
CID 174113767
(2S,3S,4S,5S,6R)-3-ethoxy-6-(hydroxymethyl)oxane-2,4,5-triol
CID 70232316
(2R,3S,4R,6R)-6-ethoxy-2-methyloxane-3,4-diol
CID 11030343
6-ethoxy-2-methyloxane-3,4-diol
CID 20764116
ethane;2-(hydroxymethyl)-6-pentoxyoxane-3,4-diol
CID 145127293
(2R,3S,4R,6S)-2-(hydroxymethyl)-6-undecoxyoxane-3,4-diol
CID 102481563

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,5R)-3-chloro-5-ethoxyoxolan-2-yl]methanol?
The IUPAC name of [(2R,3S,5R)-3-chloro-5-ethoxyoxolan-2-yl]methanol (CID 130870867) is [(2R,3S,5R)-3-chloro-5-ethoxyoxolan-2-yl]methanol.
What is the SMILES notation for [(2R,3S,5R)-3-chloro-5-ethoxyoxolan-2-yl]methanol?
The canonical SMILES for [(2R,3S,5R)-3-chloro-5-ethoxyoxolan-2-yl]methanol is CCO[C@H]1C[C@H](Cl)[C@@H](CO)O1.
What is the InChIKey of [(2R,3S,5R)-3-chloro-5-ethoxyoxolan-2-yl]methanol?
The InChIKey is JWIQRZDFECMYDO-RRKCRQDMSA-N. The full InChI is InChI=1S/C7H13ClO3/c1-2-10-7-3-5(8)6(4-9)11-7/h5-7,9H,2-4H2,1H3/t5-,6+,7+/m0/s1.
What are the key properties of [(2R,3S,5R)-3-chloro-5-ethoxyoxolan-2-yl]methanol?
[(2R,3S,5R)-3-chloro-5-ethoxyoxolan-2-yl]methanol has a molecular weight of 180.63 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,5R)-3-chloro-5-ethoxyoxolan-2-yl]methanol is sourced from PubChem (CID 130870867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).