4-(2-chlorophenyl)-3-methoxy-2H-furan-5-one

C11H9ClO3 — CID 19764127

IUPAC4-(2-chlorophenyl)-3-methoxy-2H-furan-5-one
SMILESCOC1=C(c2ccccc2Cl)C(=O)OC1
InChIInChI=1S/C11H9ClO3/c1-14-9-6-15-11(13)10(9)7-4-2-3-5-8(7)12/h2-5H,6H2,1H3
InChIKeyBRKVKIZOMAWXDP-UHFFFAOYSA-N
MW224.64 g/mol
LogP2.25
Rot. Bonds2

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

4-(2-chlorophenyl)-3-methoxy-2H-furan-5-one (PubChem CID 19764127) has the molecular formula C11H9ClO3 and a molecular weight of 224.64 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-3-methoxy-2H-furan-5-one.

Molecular Properties

Compound Name4-(2-chlorophenyl)-3-methoxy-2H-furan-5-one
PubChem CID19764127
Molecular FormulaC11H9ClO3
Molecular Weight224.64 g/mol
Exact Mass224.02
IUPAC Name4-(2-chlorophenyl)-3-methoxy-2H-furan-5-one
SMILESCOC1=C(c2ccccc2Cl)C(=O)OC1
InChIInChI=1S/C11H9ClO3/c1-14-9-6-15-11(13)10(9)7-4-2-3-5-8(7)12/h2-5H,6H2,1H3
InChIKeyBRKVKIZOMAWXDP-UHFFFAOYSA-N
XLogP2.25
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.64
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-3-methoxy-2H-furan-5-one?
The IUPAC name of 4-(2-chlorophenyl)-3-methoxy-2H-furan-5-one (CID 19764127) is 4-(2-chlorophenyl)-3-methoxy-2H-furan-5-one.
What is the SMILES notation for 4-(2-chlorophenyl)-3-methoxy-2H-furan-5-one?
The canonical SMILES for 4-(2-chlorophenyl)-3-methoxy-2H-furan-5-one is COC1=C(c2ccccc2Cl)C(=O)OC1.
What is the InChIKey of 4-(2-chlorophenyl)-3-methoxy-2H-furan-5-one?
The InChIKey is BRKVKIZOMAWXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClO3/c1-14-9-6-15-11(13)10(9)7-4-2-3-5-8(7)12/h2-5H,6H2,1H3.
What are the key properties of 4-(2-chlorophenyl)-3-methoxy-2H-furan-5-one?
4-(2-chlorophenyl)-3-methoxy-2H-furan-5-one has a molecular weight of 224.64 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-3-methoxy-2H-furan-5-one is sourced from PubChem (CID 19764127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).