1-ethoxy-4-hex-4-yn-2-yl-2-methoxybenzene

C15H20O2 — CID 83938363

IUPAC1-ethoxy-4-hex-4-yn-2-yl-2-methoxybenzene
SMILESCC#CCC(C)c1ccc(OCC)c(OC)c1
InChIInChI=1S/C15H20O2/c1-5-7-8-12(3)13-9-10-14(17-6-2)15(11-13)16-4/h9-12H,6,8H2,1-4H3
InChIKeyCADXDSHSBZIFMR-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.61
Rot. Bonds5

About 1-ethoxy-4-hex-4-yn-2-yl-2-methoxybenzene

1-ethoxy-4-hex-4-yn-2-yl-2-methoxybenzene (PubChem CID 83938363) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 1-ethoxy-4-hex-4-yn-2-yl-2-methoxybenzene.

Molecular Properties

Compound Name1-ethoxy-4-hex-4-yn-2-yl-2-methoxybenzene
PubChem CID83938363
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name1-ethoxy-4-hex-4-yn-2-yl-2-methoxybenzene
SMILESCC#CCC(C)c1ccc(OCC)c(OC)c1
InChIInChI=1S/C15H20O2/c1-5-7-8-12(3)13-9-10-14(17-6-2)15(11-13)16-4/h9-12H,6,8H2,1-4H3
InChIKeyCADXDSHSBZIFMR-UHFFFAOYSA-N
XLogP3.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-bromo-1-ethoxy-4-hex-4-yn-2-ylbenzene
CID 83926220
2-tert-butyl-1-ethoxy-4-hex-4-yn-2-ylbenzene
CID 83934352
2-chloro-4-hex-4-yn-2-yl-1-methoxybenzene
CID 83928523
3-(3-ethoxy-4-methoxyphenyl)butanenitrile
CID 135293000
3-(4-ethoxy-3-methoxyphenyl)butane-1-thiol
CID 83938307
4-hept-4-yn-2-yl-2-methoxy-1-propoxybenzene
CID 83938504
6-(4-ethoxy-3-methoxyphenyl)heptan-3-amine
CID 83938317
4-butan-2-yl-1,2-dimethoxybenzene
CID 54391207
5-(4-ethoxy-3-methoxyphenyl)hexan-2-one
CID 83938305
4-[2-(4-ethoxy-3-methoxyphenyl)propyl]-2H-triazole
CID 112719219
2-(4-ethoxy-3-methoxyphenyl)propanal
CID 134639564
2-ethoxy-1-methoxy-4-propan-2-ylbenzene
CID 22087689

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-hex-4-yn-2-yl-2-methoxybenzene?
The IUPAC name of 1-ethoxy-4-hex-4-yn-2-yl-2-methoxybenzene (CID 83938363) is 1-ethoxy-4-hex-4-yn-2-yl-2-methoxybenzene.
What is the SMILES notation for 1-ethoxy-4-hex-4-yn-2-yl-2-methoxybenzene?
The canonical SMILES for 1-ethoxy-4-hex-4-yn-2-yl-2-methoxybenzene is CC#CCC(C)c1ccc(OCC)c(OC)c1.
What is the InChIKey of 1-ethoxy-4-hex-4-yn-2-yl-2-methoxybenzene?
The InChIKey is CADXDSHSBZIFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-5-7-8-12(3)13-9-10-14(17-6-2)15(11-13)16-4/h9-12H,6,8H2,1-4H3.
What are the key properties of 1-ethoxy-4-hex-4-yn-2-yl-2-methoxybenzene?
1-ethoxy-4-hex-4-yn-2-yl-2-methoxybenzene has a molecular weight of 232.32 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-hex-4-yn-2-yl-2-methoxybenzene is sourced from PubChem (CID 83938363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).