(2R,3R)-3-chlorohexane-1,2-diol

C6H13ClO2 — CID 13429724

IUPAC(2R,3R)-3-chlorohexane-1,2-diol
SMILESCCC[C@@H](Cl)[C@H](O)CO
InChIInChI=1S/C6H13ClO2/c1-2-3-5(7)6(9)4-8/h5-6,8-9H,2-4H2,1H3/t5-,6-/m1/s1
InChIKeyARBGJJZCHGOTTP-PHDIDXHHSA-N
MW152.62 g/mol
LogP0.75
Rot. Bonds4

About (2R,3R)-3-chlorohexane-1,2-diol

(2R,3R)-3-chlorohexane-1,2-diol (PubChem CID 13429724) has the molecular formula C6H13ClO2 and a molecular weight of 152.62 g/mol. Its IUPAC name is (2R,3R)-3-chlorohexane-1,2-diol.

Molecular Properties

Compound Name(2R,3R)-3-chlorohexane-1,2-diol
PubChem CID13429724
Molecular FormulaC6H13ClO2
Molecular Weight152.62 g/mol
Exact Mass152.06
IUPAC Name(2R,3R)-3-chlorohexane-1,2-diol
SMILESCCC[C@@H](Cl)[C@H](O)CO
InChIInChI=1S/C6H13ClO2/c1-2-3-5(7)6(9)4-8/h5-6,8-9H,2-4H2,1H3/t5-,6-/m1/s1
InChIKeyARBGJJZCHGOTTP-PHDIDXHHSA-N
XLogP0.75
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.62
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

butane-1,1-diol;butane-1,2,3,4-tetrol
CID 175408326
butane;butane-1,2,3,4-tetrol
CID 155273073
3-fluorohexane-1,2-diol
CID 14685331
(2R,3R)-3-(methylamino)hexane-1,2-diol
CID 55287871
octane-4,5-diol;hydrate
CID 141056272
(2S,3S,4S,5R)-5-aminooctane-1,2,3,4-tetrol
CID 46237758
2-(1,2-dihydroxyethyl)pentanal
CID 126708294
3-propylnonane-1,2-diol
CID 142914720
(2S,3R)-3-propylnonane-1,2-diol
CID 132503720
3-propoxyhexane-1,2-diol
CID 90013661
(2S,3S)-decane-1,2,3-triol
CID 12619492
(2R,3R)-undecane-1,2,3-triol
CID 15641124

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-chlorohexane-1,2-diol?
The IUPAC name of (2R,3R)-3-chlorohexane-1,2-diol (CID 13429724) is (2R,3R)-3-chlorohexane-1,2-diol.
What is the SMILES notation for (2R,3R)-3-chlorohexane-1,2-diol?
The canonical SMILES for (2R,3R)-3-chlorohexane-1,2-diol is CCC[C@@H](Cl)[C@H](O)CO.
What is the InChIKey of (2R,3R)-3-chlorohexane-1,2-diol?
The InChIKey is ARBGJJZCHGOTTP-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H13ClO2/c1-2-3-5(7)6(9)4-8/h5-6,8-9H,2-4H2,1H3/t5-,6-/m1/s1.
What are the key properties of (2R,3R)-3-chlorohexane-1,2-diol?
(2R,3R)-3-chlorohexane-1,2-diol has a molecular weight of 152.62 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-chlorohexane-1,2-diol is sourced from PubChem (CID 13429724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).