4-methyl-5-oxo-2-phenyl-2H-furan-3-carboxylic acid

C12H10O4 — CID 141356262

IUPAC4-methyl-5-oxo-2-phenyl-2H-furan-3-carboxylic acid
SMILESCC1=C(C(=O)O)C(c2ccccc2)OC1=O
InChIInChI=1S/C12H10O4/c1-7-9(11(13)14)10(16-12(7)15)8-5-3-2-4-6-8/h2-6,10H,1H3,(H,13,14)
InChIKeyWDBQALNSIZSTPO-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.69
Rot. Bonds2

About 4-methyl-5-oxo-2-phenyl-2H-furan-3-carboxylic acid

4-methyl-5-oxo-2-phenyl-2H-furan-3-carboxylic acid (PubChem CID 141356262) has the molecular formula C12H10O4 and a molecular weight of 218.21 g/mol. Its IUPAC name is 4-methyl-5-oxo-2-phenyl-2H-furan-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-5-oxo-2-phenyl-2H-furan-3-carboxylic acid
PubChem CID141356262
Molecular FormulaC12H10O4
Molecular Weight218.21 g/mol
Exact Mass218.06
IUPAC Name4-methyl-5-oxo-2-phenyl-2H-furan-3-carboxylic acid
SMILESCC1=C(C(=O)O)C(c2ccccc2)OC1=O
InChIInChI=1S/C12H10O4/c1-7-9(11(13)14)10(16-12(7)15)8-5-3-2-4-6-8/h2-6,10H,1H3,(H,13,14)
InChIKeyWDBQALNSIZSTPO-UHFFFAOYSA-N
XLogP1.69
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-4-methyl-3-[(2R)-4-methyl-5-oxo-2-phenyl-2H-furan-3-yl]-2-phenyl-2H-furan-5-one
CID 102397882
3-chloro-4-methyl-2-phenyl-2H-furan-5-one
CID 10560334
4-methyl-2-phenyl-3-phenylsulfanyl-2H-furan-5-one
CID 14004446
(2R)-3-[(Z)-1-bromonon-2-en-2-yl]-4-methyl-2-phenyl-2H-furan-5-one
CID 101430395
3-[(Z)-1-bromonon-2-en-2-yl]-4-methyl-2-phenyl-2H-furan-5-one
CID 101430382
4-hydroxy-3,3,5-trimethyl-2-phenyl-2H-pyran-6-one
CID 134890192
5-oxo-2-phenyl-2H-furan-3-carboxylic acid
CID 70388760
(3R,6S)-3,6-diphenyl-1,4-dioxane-2,5-dione
CID 101432934
(3R,6R)-3,6-diphenyl-1,4-dioxane-2,5-dione
CID 101432935
4-amino-3-hydroxy-2-phenyl-2H-furan-5-one
CID 71437125
3-fluoro-2-(4-fluorophenyl)-4-methyl-2H-furan-5-one
CID 44605460
(3S)-3-phenyl-3H-2-benzofuran-1-one
CID 725855

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-oxo-2-phenyl-2H-furan-3-carboxylic acid?
The IUPAC name of 4-methyl-5-oxo-2-phenyl-2H-furan-3-carboxylic acid (CID 141356262) is 4-methyl-5-oxo-2-phenyl-2H-furan-3-carboxylic acid.
What is the SMILES notation for 4-methyl-5-oxo-2-phenyl-2H-furan-3-carboxylic acid?
The canonical SMILES for 4-methyl-5-oxo-2-phenyl-2H-furan-3-carboxylic acid is CC1=C(C(=O)O)C(c2ccccc2)OC1=O.
What is the InChIKey of 4-methyl-5-oxo-2-phenyl-2H-furan-3-carboxylic acid?
The InChIKey is WDBQALNSIZSTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O4/c1-7-9(11(13)14)10(16-12(7)15)8-5-3-2-4-6-8/h2-6,10H,1H3,(H,13,14).
What are the key properties of 4-methyl-5-oxo-2-phenyl-2H-furan-3-carboxylic acid?
4-methyl-5-oxo-2-phenyl-2H-furan-3-carboxylic acid has a molecular weight of 218.21 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-oxo-2-phenyl-2H-furan-3-carboxylic acid is sourced from PubChem (CID 141356262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).