1-Ethynyl-3,5-dimethoxybenzene

• CAS: 171290-52-1
• Catalog Number: ACM171290521
• Category: Alkynes
• Molecular Weight: 162.18g/mol
• Molecular Formula: C10H10O2
• Synonyms: 171290-52-1;1-Ethynyl-3,5-dimethoxybenzene;3,5-Dimethoxyphenylacetylene;3,5-Dimethoxyphenyl acetylene;Benzene, 1-ethynyl-3,5-dimethoxy-;1-Ethylnyl-3,5-dimethoxybenzene;MFCD03839985;1-ETHYNYL-3,5-DIMETHOXYBENZENE;3,5-Dimethoxyphenylacetylene;1-ethynyl-3,5-dimethoxy-benzene;Benzene,1-ethynyl-3,5-dimethoxy-;3,5-dimethoxyethynylbenzene;3.5-dimethoxyphenylacetylene;SCHEMBL711441;1,3-Dimethoxy-5-ethynylbenzene;1-ethynyl 3,5-dimethoxybenzene;DTXSID70405341;1-Ethynyl-3,5-(dimethoxy)benzene;ACT02982;BCP10916;ZINC2513045;ANW-47073;AKOS005067753;AM84602;CM14005;CS-W005480;1-ETHYNYL-3 5-DIMETHOXYBENZENE;AK-49477;AS-18157;SY050709;AB0022803;DB-012628;E1175;FT-0652046;W3736;1-ETHYNYL-3 5-DIMETHOXYBENZENE 98;1-Ethynyl-3,5-dimethoxybenzene, 98% (CP);S-4716;Q-102454
• IUPAC Name: 1-ethynyl-3,5-dimethoxybenzene
• Canonical SMILES: COC1=CC(=CC(=C1)C#C)OC
• InChI: InChI=1S/C10H10O2/c1-4-8-5-9(11-2)7-10(6-8)12-3/h1,5-7H,2-3H3
• InChI Key: HUSBBWQIJMRKLI-UHFFFAOYSA-N
• Complexity: 168
• Covalently-Bonded Unit Count: 1
• Exact Mass: 162.068079557g/mol
• Hazard Statements: H225-H315-H319-H335
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 2
• Monoisotopic Mass: 162.068079557g/mol
• RIDADR: UN 3295C 3 / PGIII
• Rotatable Bond Count: 3
• Symbol: GHS02
• Topological Polar Surface Area: 18.5Ų
• XLogP3: 2.1

Custom Q&A

What is the molecular formula of 1-Ethynyl-3,5-dimethoxybenzene?

The molecular formula is C10H10O2.

What is the IUPAC name of 1-Ethynyl-3,5-dimethoxybenzene?

The IUPAC name is 1-ethynyl-3,5-dimethoxybenzene.

What is the InChI of 1-Ethynyl-3,5-dimethoxybenzene?

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

What is the InChIKey of 1-Ethynyl-3,5-dimethoxybenzene?

The InChIKey is HUSBBWQIJMRKLI-UHFFFAOYSA-N.

What is the canonical SMILES of 1-Ethynyl-3,5-dimethoxybenzene?

The canonical SMILES is COC1=CC(=CC(=C1)C#C)OC.

What is the molecular weight of 1-Ethynyl-3,5-dimethoxybenzene?

The molecular weight is 162.18 g/mol.

What is the XLogP3-AA value of 1-Ethynyl-3,5-dimethoxybenzene?

The XLogP3-AA value is 2.1.

How many hydrogen bond donor atoms are there in 1-Ethynyl-3,5-dimethoxybenzene?

There are 0 hydrogen bond donor atoms.

How many hydrogen bond acceptor atoms are there in 1-Ethynyl-3,5-dimethoxybenzene?

There are 2 hydrogen bond acceptor atoms.

How many rotatable bonds are there in 1-Ethynyl-3,5-dimethoxybenzene?

There are 3 rotatable bonds.