7-Methoxy-4-methylcoumarin

C₁₁H₁₀O₃CAS 2555-28-4190.20 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₁₀O₃
Molar mass: 190.20 g/mol
Exact mass: 190.0630 Da
Melting point: 159 °C
logP: 2.11Crippen estimate
Polar surface area: 39.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

2555-28-4

SMILES

COc1ccc2c(C)cc(=O)oc2c1

InChIKey

UDFPKNSWSYBIHO-UHFFFAOYSA-N

InChI

InChI=1S/C11H10O3/c1-7-5-11(12)14-10-6-8(13-2)3-4-9(7)10/h3-6H,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

11 names

2H-1-Benzopyran-2-one, 7-methoxy-4-methyl-
Coumarin, 7-methoxy-4-methyl-
Herniarin, 4-methyl-
7-Methoxy-4-methyl-2H-1-benzopyran-2-one
4-Methyl-7-methoxycoumarin
4-Methylherniarin
4-Methylumbelliferone methyl ether
NSC 688805
7-Methoxy-4-methyl-2H-chromen-2-one
7-Methyloxy-4-methylcoumarin
7-Methoxy-4-methyl-chromen-2-one

Work with 7-Methoxy-4-methylcoumarin

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

7-Ethoxy-4-methylcoumarin87-05-868 % similar 4-Methylumbelliferyl acetate2747-05-964 % similar 6,7-Dimethoxy-4-methyl-2H-1-benzopyran-2-one4281-40-763 % similar 4-Methylumbelliferyl phosphate3368-04-563 % similar 4-Bromomethyl-7-methoxycoumarin35231-44-862 % similar 7-Amino-4-methylcoumarin26093-31-259 % similar 4-Methylumbelliferone90-33-559 % similar Potassium 4-methylumbelliferone sulfate15220-11-859 % similar

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

Same formula

(2E)-4-(4-Methylphenyl)-4-oxobut-2-enoic acid20972-36-5 7-Ethoxycoumarin31005-02-4 Heliotropyl acetone3160-37-0 2-Benzofurancarboxylic acid ethyl ester3199-61-9 4-Ethoxycoumarin35817-27-7 1-(7-Methoxy-2-benzofuranyl)ethanone43071-52-9 6-Methoxy-4-methylcoumarin6295-35-8 Methyl 3-(4-formylphenyl)-2-propenoate7560-50-1

Elsewhere

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