3,4-dichloro-2-(4-ethylphenyl)-2H-furan-5-one

C12H10Cl2O2 — CID 169499734

IUPAC3,4-dichloro-2-(4-ethylphenyl)-2H-furan-5-one
SMILESCCc1ccc(C2OC(=O)C(Cl)=C2Cl)cc1
InChIInChI=1S/C12H10Cl2O2/c1-2-7-3-5-8(6-4-7)11-9(13)10(14)12(15)16-11/h3-6,11H,2H2,1H3
InChIKeyOXNAOSIRAOPNDH-UHFFFAOYSA-N
MW257.12 g/mol
LogP3.54
Rot. Bonds2

About 3,4-dichloro-2-(4-ethylphenyl)-2H-furan-5-one

3,4-dichloro-2-(4-ethylphenyl)-2H-furan-5-one (PubChem CID 169499734) has the molecular formula C12H10Cl2O2 and a molecular weight of 257.12 g/mol. Its IUPAC name is 3,4-dichloro-2-(4-ethylphenyl)-2H-furan-5-one.

Molecular Properties

Compound Name3,4-dichloro-2-(4-ethylphenyl)-2H-furan-5-one
PubChem CID169499734
Molecular FormulaC12H10Cl2O2
Molecular Weight257.12 g/mol
Exact Mass256.01
IUPAC Name3,4-dichloro-2-(4-ethylphenyl)-2H-furan-5-one
SMILESCCc1ccc(C2OC(=O)C(Cl)=C2Cl)cc1
InChIInChI=1S/C12H10Cl2O2/c1-2-7-3-5-8(6-4-7)11-9(13)10(14)12(15)16-11/h3-6,11H,2H2,1H3
InChIKeyOXNAOSIRAOPNDH-UHFFFAOYSA-N
XLogP3.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.12
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-2-(4-ethylphenyl)-2H-furan-5-one?
The IUPAC name of 3,4-dichloro-2-(4-ethylphenyl)-2H-furan-5-one (CID 169499734) is 3,4-dichloro-2-(4-ethylphenyl)-2H-furan-5-one.
What is the SMILES notation for 3,4-dichloro-2-(4-ethylphenyl)-2H-furan-5-one?
The canonical SMILES for 3,4-dichloro-2-(4-ethylphenyl)-2H-furan-5-one is CCc1ccc(C2OC(=O)C(Cl)=C2Cl)cc1.
What is the InChIKey of 3,4-dichloro-2-(4-ethylphenyl)-2H-furan-5-one?
The InChIKey is OXNAOSIRAOPNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2O2/c1-2-7-3-5-8(6-4-7)11-9(13)10(14)12(15)16-11/h3-6,11H,2H2,1H3.
What are the key properties of 3,4-dichloro-2-(4-ethylphenyl)-2H-furan-5-one?
3,4-dichloro-2-(4-ethylphenyl)-2H-furan-5-one has a molecular weight of 257.12 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-2-(4-ethylphenyl)-2H-furan-5-one is sourced from PubChem (CID 169499734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).