4-(4-methoxyphenyl)-3H-furan-2-one

C11H10O3 — CID 21272085

IUPAC4-(4-methoxyphenyl)-3H-furan-2-one
SMILESCOc1ccc(C2=COC(=O)C2)cc1
InChIInChI=1S/C11H10O3/c1-13-10-4-2-8(3-5-10)9-6-11(12)14-7-9/h2-5,7H,6H2,1H3
InChIKeyQNPXMIVWQOGOEP-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.98
Rot. Bonds2

About 4-(4-methoxyphenyl)-3H-furan-2-one

4-(4-methoxyphenyl)-3H-furan-2-one (PubChem CID 21272085) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-3H-furan-2-one.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-3H-furan-2-one
PubChem CID21272085
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Name4-(4-methoxyphenyl)-3H-furan-2-one
SMILESCOc1ccc(C2=COC(=O)C2)cc1
InChIInChI=1S/C11H10O3/c1-13-10-4-2-8(3-5-10)9-6-11(12)14-7-9/h2-5,7H,6H2,1H3
InChIKeyQNPXMIVWQOGOEP-UHFFFAOYSA-N
XLogP1.98
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-3H-furan-2-one?
The IUPAC name of 4-(4-methoxyphenyl)-3H-furan-2-one (CID 21272085) is 4-(4-methoxyphenyl)-3H-furan-2-one.
What is the SMILES notation for 4-(4-methoxyphenyl)-3H-furan-2-one?
The canonical SMILES for 4-(4-methoxyphenyl)-3H-furan-2-one is COc1ccc(C2=COC(=O)C2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-3H-furan-2-one?
The InChIKey is QNPXMIVWQOGOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3/c1-13-10-4-2-8(3-5-10)9-6-11(12)14-7-9/h2-5,7H,6H2,1H3.
What are the key properties of 4-(4-methoxyphenyl)-3H-furan-2-one?
4-(4-methoxyphenyl)-3H-furan-2-one has a molecular weight of 190.20 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-3H-furan-2-one is sourced from PubChem (CID 21272085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).