1-ethoxy-4-[1-(4-ethoxyphenyl)prop-2-ynyl]benzene

C19H20O2 — CID 130239212

IUPAC1-ethoxy-4-[1-(4-ethoxyphenyl)prop-2-ynyl]benzene
SMILESC#CC(c1ccc(OCC)cc1)c1ccc(OCC)cc1
InChIInChI=1S/C19H20O2/c1-4-19(15-7-11-17(12-8-15)20-5-2)16-9-13-18(14-10-16)21-6-3/h1,7-14,19H,5-6H2,2-3H3
InChIKeyZMAYIXXHMMTJJM-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.25
Rot. Bonds6

About 1-ethoxy-4-[1-(4-ethoxyphenyl)prop-2-ynyl]benzene

1-ethoxy-4-[1-(4-ethoxyphenyl)prop-2-ynyl]benzene (PubChem CID 130239212) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-ethoxy-4-[1-(4-ethoxyphenyl)prop-2-ynyl]benzene.

Molecular Properties

Compound Name1-ethoxy-4-[1-(4-ethoxyphenyl)prop-2-ynyl]benzene
PubChem CID130239212
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name1-ethoxy-4-[1-(4-ethoxyphenyl)prop-2-ynyl]benzene
SMILESC#CC(c1ccc(OCC)cc1)c1ccc(OCC)cc1
InChIInChI=1S/C19H20O2/c1-4-19(15-7-11-17(12-8-15)20-5-2)16-9-13-18(14-10-16)21-6-3/h1,7-14,19H,5-6H2,2-3H3
InChIKeyZMAYIXXHMMTJJM-UHFFFAOYSA-N
XLogP4.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.25
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

1-ethoxy-4-prop-2-ynoxybenzene
CID 20701293
1-(4-ethoxyphenyl)but-3-ynylhydrazine
CID 105281456
(3S)-3-amino-3-(4-ethoxyphenyl)propanenitrile
CID 95436607
[(1S)-1-(4-ethoxyphenyl)ethyl]azanium chloride
CID 89251854
amino-(4-ethoxyphenyl)methanol
CID 116939610
2-bromo-2-(4-ethoxyphenyl)acetonitrile
CID 83086822
N-[1-(4-ethoxyphenyl)-2-methoxyethyl]prop-2-yn-1-amine
CID 122134000
2-ethoxy-2-(4-ethoxyphenyl)acetonitrile
CID 66072555
ethyl 2-(4-ethoxyphenyl)propanoate
CID 105479148
1-ethoxy-4-(4-methylpentan-2-yl)benzene
CID 57011514
4-[(4-aminophenyl)-(4-ethoxyphenyl)methyl]aniline
CID 59136500
2-(4-ethoxyphenyl)propanedial
CID 3698706

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-[1-(4-ethoxyphenyl)prop-2-ynyl]benzene?
The IUPAC name of 1-ethoxy-4-[1-(4-ethoxyphenyl)prop-2-ynyl]benzene (CID 130239212) is 1-ethoxy-4-[1-(4-ethoxyphenyl)prop-2-ynyl]benzene.
What is the SMILES notation for 1-ethoxy-4-[1-(4-ethoxyphenyl)prop-2-ynyl]benzene?
The canonical SMILES for 1-ethoxy-4-[1-(4-ethoxyphenyl)prop-2-ynyl]benzene is C#CC(c1ccc(OCC)cc1)c1ccc(OCC)cc1.
What is the InChIKey of 1-ethoxy-4-[1-(4-ethoxyphenyl)prop-2-ynyl]benzene?
The InChIKey is ZMAYIXXHMMTJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c1-4-19(15-7-11-17(12-8-15)20-5-2)16-9-13-18(14-10-16)21-6-3/h1,7-14,19H,5-6H2,2-3H3.
What are the key properties of 1-ethoxy-4-[1-(4-ethoxyphenyl)prop-2-ynyl]benzene?
1-ethoxy-4-[1-(4-ethoxyphenyl)prop-2-ynyl]benzene has a molecular weight of 280.37 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-[1-(4-ethoxyphenyl)prop-2-ynyl]benzene is sourced from PubChem (CID 130239212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).