(2S)-2-(chloromethyl)-3-hydroxy-2H-furan-5-one

C5H5ClO3 — CID 131848653

IUPAC(2S)-2-(chloromethyl)-3-hydroxy-2H-furan-5-one
SMILESO=C1C=C(O)[C@@H](CCl)O1
InChIInChI=1S/C5H5ClO3/c6-2-4-3(7)1-5(8)9-4/h1,4,7H,2H2/t4-/m1/s1
InChIKeyWYVSCASQPFAAPN-SCSAIBSYSA-N
MW148.54 g/mol
LogP0.59
Rot. Bonds1

About (2S)-2-(chloromethyl)-3-hydroxy-2H-furan-5-one

(2S)-2-(chloromethyl)-3-hydroxy-2H-furan-5-one (PubChem CID 131848653) has the molecular formula C5H5ClO3 and a molecular weight of 148.54 g/mol. Its IUPAC name is (2S)-2-(chloromethyl)-3-hydroxy-2H-furan-5-one.

Molecular Properties

Compound Name(2S)-2-(chloromethyl)-3-hydroxy-2H-furan-5-one
PubChem CID131848653
Molecular FormulaC5H5ClO3
Molecular Weight148.54 g/mol
Exact Mass147.99
IUPAC Name(2S)-2-(chloromethyl)-3-hydroxy-2H-furan-5-one
SMILESO=C1C=C(O)[C@@H](CCl)O1
InChIInChI=1S/C5H5ClO3/c6-2-4-3(7)1-5(8)9-4/h1,4,7H,2H2/t4-/m1/s1
InChIKeyWYVSCASQPFAAPN-SCSAIBSYSA-N
XLogP0.59
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.54
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(chloromethyl)-3-hydroxy-2H-furan-5-one?
The IUPAC name of (2S)-2-(chloromethyl)-3-hydroxy-2H-furan-5-one (CID 131848653) is (2S)-2-(chloromethyl)-3-hydroxy-2H-furan-5-one.
What is the SMILES notation for (2S)-2-(chloromethyl)-3-hydroxy-2H-furan-5-one?
The canonical SMILES for (2S)-2-(chloromethyl)-3-hydroxy-2H-furan-5-one is O=C1C=C(O)[C@@H](CCl)O1.
What is the InChIKey of (2S)-2-(chloromethyl)-3-hydroxy-2H-furan-5-one?
The InChIKey is WYVSCASQPFAAPN-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H5ClO3/c6-2-4-3(7)1-5(8)9-4/h1,4,7H,2H2/t4-/m1/s1.
What are the key properties of (2S)-2-(chloromethyl)-3-hydroxy-2H-furan-5-one?
(2S)-2-(chloromethyl)-3-hydroxy-2H-furan-5-one has a molecular weight of 148.54 g/mol, XLogP of 0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(chloromethyl)-3-hydroxy-2H-furan-5-one is sourced from PubChem (CID 131848653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).