1-ethoxy-4-[2-(4-fluorophenyl)ethynyl]benzene

C16H13FO — CID 14744785

IUPAC1-ethoxy-4-[2-(4-fluorophenyl)ethynyl]benzene
SMILESCCOc1ccc(C#Cc2ccc(F)cc2)cc1
InChIInChI=1S/C16H13FO/c1-2-18-16-11-7-14(8-12-16)4-3-13-5-9-15(17)10-6-13/h5-12H,2H2,1H3
InChIKeySPWWAWOPYSOPDE-UHFFFAOYSA-N
MW240.28 g/mol
LogP3.62
Rot. Bonds2

About 1-ethoxy-4-[2-(4-fluorophenyl)ethynyl]benzene

1-ethoxy-4-[2-(4-fluorophenyl)ethynyl]benzene (PubChem CID 14744785) has the molecular formula C16H13FO and a molecular weight of 240.28 g/mol. Its IUPAC name is 1-ethoxy-4-[2-(4-fluorophenyl)ethynyl]benzene.

Molecular Properties

Compound Name1-ethoxy-4-[2-(4-fluorophenyl)ethynyl]benzene
PubChem CID14744785
Molecular FormulaC16H13FO
Molecular Weight240.28 g/mol
Exact Mass240.10
IUPAC Name1-ethoxy-4-[2-(4-fluorophenyl)ethynyl]benzene
SMILESCCOc1ccc(C#Cc2ccc(F)cc2)cc1
InChIInChI=1S/C16H13FO/c1-2-18-16-11-7-14(8-12-16)4-3-13-5-9-15(17)10-6-13/h5-12H,2H2,1H3
InChIKeySPWWAWOPYSOPDE-UHFFFAOYSA-N
XLogP3.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-ethoxy-4-fluorobenzene
CID 143106824
1-(4-ethoxyphenyl)-3-(4-fluorophenyl)prop-2-yn-1-one
CID 11380154
1-fluoro-4-[2-[4-(4-propoxyphenyl)phenyl]ethynyl]benzene
CID 67865457
1-chloro-4-[2-(4-ethoxyphenyl)ethynyl]-2-fluorobenzene
CID 67858430
1,4-bis[2-(4-fluorophenyl)ethynyl]benzene
CID 4677208
1-[(4-ethylcyclohexyl)methoxy]-4-[2-(4-fluorophenyl)ethynyl]benzene
CID 67933653
2-fluoro-6-[2-[4-[2-(4-propoxyphenyl)ethynyl]phenyl]ethynyl]naphthalene
CID 139857665
3-(4-ethoxyphenyl)prop-2-yn-1-amine;hydrochloride
CID 75480678
1-(3,3-diethoxyprop-1-ynyl)-4-fluorobenzene
CID 23464829
1-ethoxy-4-(fluoromethoxy)benzene
CID 21036002
5-[2-(4-ethoxyphenyl)ethynyl]-2-(trifluoromethoxy)pyridine
CID 19765730
[4-[2-(4-fluorophenyl)ethynyl]phenyl] 2-methylbutanoate
CID 22976491

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-[2-(4-fluorophenyl)ethynyl]benzene?
The IUPAC name of 1-ethoxy-4-[2-(4-fluorophenyl)ethynyl]benzene (CID 14744785) is 1-ethoxy-4-[2-(4-fluorophenyl)ethynyl]benzene.
What is the SMILES notation for 1-ethoxy-4-[2-(4-fluorophenyl)ethynyl]benzene?
The canonical SMILES for 1-ethoxy-4-[2-(4-fluorophenyl)ethynyl]benzene is CCOc1ccc(C#Cc2ccc(F)cc2)cc1.
What is the InChIKey of 1-ethoxy-4-[2-(4-fluorophenyl)ethynyl]benzene?
The InChIKey is SPWWAWOPYSOPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FO/c1-2-18-16-11-7-14(8-12-16)4-3-13-5-9-15(17)10-6-13/h5-12H,2H2,1H3.
What are the key properties of 1-ethoxy-4-[2-(4-fluorophenyl)ethynyl]benzene?
1-ethoxy-4-[2-(4-fluorophenyl)ethynyl]benzene has a molecular weight of 240.28 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-[2-(4-fluorophenyl)ethynyl]benzene is sourced from PubChem (CID 14744785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).