chempirical

2-Methyl-5-phenylfuran-3-carboxylic acid

C12H10O3CAS 108124-17-0202.21 g/mol

Open in Covalent MOL file
OOHO
Carboxylic acid

Properties

Molecular formula
C12H10O3
Molar mass
202.21 g/mol
Exact mass
202.0630 Da
logP
2.95Crippen estimate
Polar surface area
50.4 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
108124-17-0
SMILES
CC1=C(C=C(O1)C2=CC=CC=C2)C(=O)O
InChIKey
VLMNACSEESRUAK-UHFFFAOYSA-N
InChI
InChI=1S/C12H10O3/c1-8-10(12(13)14)7-11(15-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,13,14)

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Work with 2-Methyl-5-phenylfuran-3-carboxylic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,5-Dimethyl-3-furancarboxylic acid636-44-257 % similar 5-Methyl-3-phenylisoxazole-4-carboxylic acid1136-45-448 % similar 1-Biphenyl-2-carboxylic acid947-84-247 % similar 2-Methyl-3-furancarboxylic acid6947-94-046 % similar Phthalic acid88-99-344 % similar 3-Methylflavone-8-carboxylic acid3468-01-743 % similar 5-(4-Chlorophenyl)-2-(trifluoromethyl)-3-furancarboxylic acid175276-60-543 % similar 2-Phenyl-3-pyridinecarboxylic acid33421-39-543 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Naphthoxyacetic acid120-23-0 4-Methoxy-1-naphthalenecarboxylic acid13041-62-8 4,4′-Dihydroxydiphenyl ether1965-09-9 6-Methoxy-2-naphthoic acid2471-70-7 Naphthoxyacetic acid2976-75-2 5-(1,3-Benzodioxol-5-yl)penta-2,4-dienal83047-59-0 Methyl 3-hydroxy-2-naphthoate883-99-8

Elsewhere

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