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

C11H10O2 — CID 576159

IUPAC3-methyl-4-phenyl-2H-furan-5-one
SMILESCC1=C(c2ccccc2)C(=O)OC1
InChIInChI=1S/C11H10O2/c1-8-7-13-11(12)10(8)9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKeyTWNAXCONALFJBR-UHFFFAOYSA-N
MW174.20 g/mol
LogP2.02
Rot. Bonds1

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

3-methyl-4-phenyl-2H-furan-5-one (PubChem CID 576159) has the molecular formula C11H10O2 and a molecular weight of 174.20 g/mol. Its IUPAC name is 3-methyl-4-phenyl-2H-furan-5-one.

Molecular Properties

Compound Name3-methyl-4-phenyl-2H-furan-5-one
PubChem CID576159
Molecular FormulaC11H10O2
Molecular Weight174.20 g/mol
Exact Mass174.07
IUPAC Name3-methyl-4-phenyl-2H-furan-5-one
SMILESCC1=C(c2ccccc2)C(=O)OC1
InChIInChI=1S/C11H10O2/c1-8-7-13-11(12)10(8)9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKeyTWNAXCONALFJBR-UHFFFAOYSA-N
XLogP2.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-phenyl-2H-furan-5-one?
The IUPAC name of 3-methyl-4-phenyl-2H-furan-5-one (CID 576159) is 3-methyl-4-phenyl-2H-furan-5-one.
What is the SMILES notation for 3-methyl-4-phenyl-2H-furan-5-one?
The canonical SMILES for 3-methyl-4-phenyl-2H-furan-5-one is CC1=C(c2ccccc2)C(=O)OC1.
What is the InChIKey of 3-methyl-4-phenyl-2H-furan-5-one?
The InChIKey is TWNAXCONALFJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2/c1-8-7-13-11(12)10(8)9-5-3-2-4-6-9/h2-6H,7H2,1H3.
What are the key properties of 3-methyl-4-phenyl-2H-furan-5-one?
3-methyl-4-phenyl-2H-furan-5-one has a molecular weight of 174.20 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-phenyl-2H-furan-5-one is sourced from PubChem (CID 576159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).