2-benzyl-3-(2-methoxyphenyl)-4-methyl-2H-furan-5-one

C19H18O3 — CID 154714231

IUPAC2-benzyl-3-(2-methoxyphenyl)-4-methyl-2H-furan-5-one
SMILESCOc1ccccc1C1=C(C)C(=O)OC1Cc1ccccc1
InChIInChI=1S/C19H18O3/c1-13-18(15-10-6-7-11-16(15)21-2)17(22-19(13)20)12-14-8-4-3-5-9-14/h3-11,17H,12H2,1-2H3
InChIKeyHYMPTGXFEPBCSA-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.64
Rot. Bonds4

About 2-benzyl-3-(2-methoxyphenyl)-4-methyl-2H-furan-5-one

2-benzyl-3-(2-methoxyphenyl)-4-methyl-2H-furan-5-one (PubChem CID 154714231) has the molecular formula C19H18O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-benzyl-3-(2-methoxyphenyl)-4-methyl-2H-furan-5-one.

Molecular Properties

Compound Name2-benzyl-3-(2-methoxyphenyl)-4-methyl-2H-furan-5-one
PubChem CID154714231
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Name2-benzyl-3-(2-methoxyphenyl)-4-methyl-2H-furan-5-one
SMILESCOc1ccccc1C1=C(C)C(=O)OC1Cc1ccccc1
InChIInChI=1S/C19H18O3/c1-13-18(15-10-6-7-11-16(15)21-2)17(22-19(13)20)12-14-8-4-3-5-9-14/h3-11,17H,12H2,1-2H3
InChIKeyHYMPTGXFEPBCSA-UHFFFAOYSA-N
XLogP3.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-(2-methoxyphenyl)-4-methyl-2H-furan-5-one?
The IUPAC name of 2-benzyl-3-(2-methoxyphenyl)-4-methyl-2H-furan-5-one (CID 154714231) is 2-benzyl-3-(2-methoxyphenyl)-4-methyl-2H-furan-5-one.
What is the SMILES notation for 2-benzyl-3-(2-methoxyphenyl)-4-methyl-2H-furan-5-one?
The canonical SMILES for 2-benzyl-3-(2-methoxyphenyl)-4-methyl-2H-furan-5-one is COc1ccccc1C1=C(C)C(=O)OC1Cc1ccccc1.
What is the InChIKey of 2-benzyl-3-(2-methoxyphenyl)-4-methyl-2H-furan-5-one?
The InChIKey is HYMPTGXFEPBCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O3/c1-13-18(15-10-6-7-11-16(15)21-2)17(22-19(13)20)12-14-8-4-3-5-9-14/h3-11,17H,12H2,1-2H3.
What are the key properties of 2-benzyl-3-(2-methoxyphenyl)-4-methyl-2H-furan-5-one?
2-benzyl-3-(2-methoxyphenyl)-4-methyl-2H-furan-5-one has a molecular weight of 294.35 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-(2-methoxyphenyl)-4-methyl-2H-furan-5-one is sourced from PubChem (CID 154714231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).