4-(2-chlorophenyl)-2,3-dimethyl-2H-furan-5-one

C12H11ClO2 — CID 142708549

IUPAC4-(2-chlorophenyl)-2,3-dimethyl-2H-furan-5-one
SMILESCC1=C(c2ccccc2Cl)C(=O)OC1C
InChIInChI=1S/C12H11ClO2/c1-7-8(2)15-12(14)11(7)9-5-3-4-6-10(9)13/h3-6,8H,1-2H3
InChIKeyKNHAOEMVIVZIGI-UHFFFAOYSA-N
MW222.67 g/mol
LogP3.06
Rot. Bonds1

About 4-(2-chlorophenyl)-2,3-dimethyl-2H-furan-5-one

4-(2-chlorophenyl)-2,3-dimethyl-2H-furan-5-one (PubChem CID 142708549) has the molecular formula C12H11ClO2 and a molecular weight of 222.67 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-2,3-dimethyl-2H-furan-5-one.

Molecular Properties

Compound Name4-(2-chlorophenyl)-2,3-dimethyl-2H-furan-5-one
PubChem CID142708549
Molecular FormulaC12H11ClO2
Molecular Weight222.67 g/mol
Exact Mass222.04
IUPAC Name4-(2-chlorophenyl)-2,3-dimethyl-2H-furan-5-one
SMILESCC1=C(c2ccccc2Cl)C(=O)OC1C
InChIInChI=1S/C12H11ClO2/c1-7-8(2)15-12(14)11(7)9-5-3-4-6-10(9)13/h3-6,8H,1-2H3
InChIKeyKNHAOEMVIVZIGI-UHFFFAOYSA-N
XLogP3.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.67
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-2,3-dimethyl-2H-furan-5-one?
The IUPAC name of 4-(2-chlorophenyl)-2,3-dimethyl-2H-furan-5-one (CID 142708549) is 4-(2-chlorophenyl)-2,3-dimethyl-2H-furan-5-one.
What is the SMILES notation for 4-(2-chlorophenyl)-2,3-dimethyl-2H-furan-5-one?
The canonical SMILES for 4-(2-chlorophenyl)-2,3-dimethyl-2H-furan-5-one is CC1=C(c2ccccc2Cl)C(=O)OC1C.
What is the InChIKey of 4-(2-chlorophenyl)-2,3-dimethyl-2H-furan-5-one?
The InChIKey is KNHAOEMVIVZIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClO2/c1-7-8(2)15-12(14)11(7)9-5-3-4-6-10(9)13/h3-6,8H,1-2H3.
What are the key properties of 4-(2-chlorophenyl)-2,3-dimethyl-2H-furan-5-one?
4-(2-chlorophenyl)-2,3-dimethyl-2H-furan-5-one has a molecular weight of 222.67 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-2,3-dimethyl-2H-furan-5-one is sourced from PubChem (CID 142708549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).