(2R)-4-(3,4-dichlorophenyl)-2-(hydroxymethyl)-2H-furan-5-one

C11H8Cl2O3 — CID 11097268

IUPAC(2R)-4-(3,4-dichlorophenyl)-2-(hydroxymethyl)-2H-furan-5-one
SMILESO=C1O[C@@H](CO)C=C1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H8Cl2O3/c12-9-2-1-6(3-10(9)13)8-4-7(5-14)16-11(8)15/h1-4,7,14H,5H2/t7-/m1/s1
InChIKeyHZSJOQGYIUOZOW-SSDOTTSWSA-N
MW259.09 g/mol
LogP2.29
Rot. Bonds2

About (2R)-4-(3,4-dichlorophenyl)-2-(hydroxymethyl)-2H-furan-5-one

(2R)-4-(3,4-dichlorophenyl)-2-(hydroxymethyl)-2H-furan-5-one (PubChem CID 11097268) has the molecular formula C11H8Cl2O3 and a molecular weight of 259.09 g/mol. Its IUPAC name is (2R)-4-(3,4-dichlorophenyl)-2-(hydroxymethyl)-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-4-(3,4-dichlorophenyl)-2-(hydroxymethyl)-2H-furan-5-one
PubChem CID11097268
Molecular FormulaC11H8Cl2O3
Molecular Weight259.09 g/mol
Exact Mass257.99
IUPAC Name(2R)-4-(3,4-dichlorophenyl)-2-(hydroxymethyl)-2H-furan-5-one
SMILESO=C1O[C@@H](CO)C=C1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H8Cl2O3/c12-9-2-1-6(3-10(9)13)8-4-7(5-14)16-11(8)15/h1-4,7,14H,5H2/t7-/m1/s1
InChIKeyHZSJOQGYIUOZOW-SSDOTTSWSA-N
XLogP2.29
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.09
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-(3,4-dichlorophenyl)-2-(hydroxymethyl)-2H-furan-5-one?
The IUPAC name of (2R)-4-(3,4-dichlorophenyl)-2-(hydroxymethyl)-2H-furan-5-one (CID 11097268) is (2R)-4-(3,4-dichlorophenyl)-2-(hydroxymethyl)-2H-furan-5-one.
What is the SMILES notation for (2R)-4-(3,4-dichlorophenyl)-2-(hydroxymethyl)-2H-furan-5-one?
The canonical SMILES for (2R)-4-(3,4-dichlorophenyl)-2-(hydroxymethyl)-2H-furan-5-one is O=C1O[C@@H](CO)C=C1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (2R)-4-(3,4-dichlorophenyl)-2-(hydroxymethyl)-2H-furan-5-one?
The InChIKey is HZSJOQGYIUOZOW-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H8Cl2O3/c12-9-2-1-6(3-10(9)13)8-4-7(5-14)16-11(8)15/h1-4,7,14H,5H2/t7-/m1/s1.
What are the key properties of (2R)-4-(3,4-dichlorophenyl)-2-(hydroxymethyl)-2H-furan-5-one?
(2R)-4-(3,4-dichlorophenyl)-2-(hydroxymethyl)-2H-furan-5-one has a molecular weight of 259.09 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(3,4-dichlorophenyl)-2-(hydroxymethyl)-2H-furan-5-one is sourced from PubChem (CID 11097268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).