3-chloro-4-methyl-2-phenyl-2H-furan-5-one

C11H9ClO2 — CID 10560334

IUPAC3-chloro-4-methyl-2-phenyl-2H-furan-5-one
SMILESCC1=C(Cl)C(c2ccccc2)OC1=O
InChIInChI=1S/C11H9ClO2/c1-7-9(12)10(14-11(7)13)8-5-3-2-4-6-8/h2-6,10H,1H3
InChIKeyHCDYRKZOAVFIMW-UHFFFAOYSA-N
MW208.64 g/mol
LogP2.80
Rot. Bonds1

About 3-chloro-4-methyl-2-phenyl-2H-furan-5-one

3-chloro-4-methyl-2-phenyl-2H-furan-5-one (PubChem CID 10560334) has the molecular formula C11H9ClO2 and a molecular weight of 208.64 g/mol. Its IUPAC name is 3-chloro-4-methyl-2-phenyl-2H-furan-5-one.

Molecular Properties

Compound Name3-chloro-4-methyl-2-phenyl-2H-furan-5-one
PubChem CID10560334
Molecular FormulaC11H9ClO2
Molecular Weight208.64 g/mol
Exact Mass208.03
IUPAC Name3-chloro-4-methyl-2-phenyl-2H-furan-5-one
SMILESCC1=C(Cl)C(c2ccccc2)OC1=O
InChIInChI=1S/C11H9ClO2/c1-7-9(12)10(14-11(7)13)8-5-3-2-4-6-8/h2-6,10H,1H3
InChIKeyHCDYRKZOAVFIMW-UHFFFAOYSA-N
XLogP2.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.64
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-2-phenyl-2H-furan-5-one?
The IUPAC name of 3-chloro-4-methyl-2-phenyl-2H-furan-5-one (CID 10560334) is 3-chloro-4-methyl-2-phenyl-2H-furan-5-one.
What is the SMILES notation for 3-chloro-4-methyl-2-phenyl-2H-furan-5-one?
The canonical SMILES for 3-chloro-4-methyl-2-phenyl-2H-furan-5-one is CC1=C(Cl)C(c2ccccc2)OC1=O.
What is the InChIKey of 3-chloro-4-methyl-2-phenyl-2H-furan-5-one?
The InChIKey is HCDYRKZOAVFIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClO2/c1-7-9(12)10(14-11(7)13)8-5-3-2-4-6-8/h2-6,10H,1H3.
What are the key properties of 3-chloro-4-methyl-2-phenyl-2H-furan-5-one?
3-chloro-4-methyl-2-phenyl-2H-furan-5-one has a molecular weight of 208.64 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-2-phenyl-2H-furan-5-one is sourced from PubChem (CID 10560334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).