4-Ethynyl-1,2-dimethoxybenzene

C₁₀H₁₀O₂CAS 4302-52-7162.19 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₀O₂
Molar mass: 162.19 g/mol
Exact mass: 162.0681 Da
logP: 1.69Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Warning

H319 Causes serious eye irritation100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P351+P338, P337+P317

Identifiers

CAS number

4302-52-7

SMILES

COC1=C(C=C(C=C1)C#C)OC

InChIKey

UWSHHXXCHBLOFO-UHFFFAOYSA-N

InChI

InChI=1S/C10H10O2/c1-4-8-5-6-9(11-2)10(7-8)12-3/h1,5-7H,2-3H3

Weigh it out

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

Names and synonyms

1 names

3',4'-Dimethoxyphenyl acetylene

Work with 4-Ethynyl-1,2-dimethoxybenzene

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

3,4-Dimethoxybenzonitrile2024-83-159 % similar 1-Ethynyl-4-methoxybenzene768-60-557 % similar 3-Methoxyphenylacetylene768-70-755 % similar 1-Ethynyl-3 5-dimethoxybenzene 98171290-52-152 % similar 1,2,4-Trimethoxybenzene135-77-350 % similar 1-Ethynyl-2-methoxybenzene767-91-948 % similar 3,4-Dimethoxytoluene494-99-548 % similar 3,4-Difluorophenylacetylene143874-13-947 % similar

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

Same formula

Gamma-Phenyl-gamma-butyrolactone1008-76-0 1,4-Diacetylbenzene1009-61-6 Methyl cinnamate103-26-4 Cinnamyl formate104-65-4 α-Methylcinnamic acid1199-77-5 Isosafrole120-58-1 4-Methoxy-2,3-dihydro-1H-inden-1-one13336-31-7 6-Methoxy-1-indanone13623-25-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook