(2R)-2-(chloromethyl)-4-methyl-2H-furan-5-one

C6H7ClO2 — CID 163067568

IUPAC(2R)-2-(chloromethyl)-4-methyl-2H-furan-5-one
SMILESCC1=C[C@H](CCl)OC1=O
InChIInChI=1S/C6H7ClO2/c1-4-2-5(3-7)9-6(4)8/h2,5H,3H2,1H3/t5-/m1/s1
InChIKeyRWOREBHQQOTRGU-RXMQYKEDSA-N
MW146.57 g/mol
LogP1.10
Rot. Bonds1

About (2R)-2-(chloromethyl)-4-methyl-2H-furan-5-one

(2R)-2-(chloromethyl)-4-methyl-2H-furan-5-one (PubChem CID 163067568) has the molecular formula C6H7ClO2 and a molecular weight of 146.57 g/mol. Its IUPAC name is (2R)-2-(chloromethyl)-4-methyl-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-2-(chloromethyl)-4-methyl-2H-furan-5-one
PubChem CID163067568
Molecular FormulaC6H7ClO2
Molecular Weight146.57 g/mol
Exact Mass146.01
IUPAC Name(2R)-2-(chloromethyl)-4-methyl-2H-furan-5-one
SMILESCC1=C[C@H](CCl)OC1=O
InChIInChI=1S/C6H7ClO2/c1-4-2-5(3-7)9-6(4)8/h2,5H,3H2,1H3/t5-/m1/s1
InChIKeyRWOREBHQQOTRGU-RXMQYKEDSA-N
XLogP1.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.57
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (2R)-2-(chloromethyl)-4-methyl-2H-furan-5-one?
The IUPAC name of (2R)-2-(chloromethyl)-4-methyl-2H-furan-5-one (CID 163067568) is (2R)-2-(chloromethyl)-4-methyl-2H-furan-5-one.
What is the SMILES notation for (2R)-2-(chloromethyl)-4-methyl-2H-furan-5-one?
The canonical SMILES for (2R)-2-(chloromethyl)-4-methyl-2H-furan-5-one is CC1=C[C@H](CCl)OC1=O.
What is the InChIKey of (2R)-2-(chloromethyl)-4-methyl-2H-furan-5-one?
The InChIKey is RWOREBHQQOTRGU-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H7ClO2/c1-4-2-5(3-7)9-6(4)8/h2,5H,3H2,1H3/t5-/m1/s1.
What are the key properties of (2R)-2-(chloromethyl)-4-methyl-2H-furan-5-one?
(2R)-2-(chloromethyl)-4-methyl-2H-furan-5-one has a molecular weight of 146.57 g/mol, XLogP of 1.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(chloromethyl)-4-methyl-2H-furan-5-one is sourced from PubChem (CID 163067568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).