4-[2-(4-ethylphenyl)ethynyl]-2-fluorophenol

C16H13FO — CID 170842246

IUPAC4-[2-(4-ethylphenyl)ethynyl]-2-fluorophenol
SMILESCCc1ccc(C#Cc2ccc(O)c(F)c2)cc1
InChIInChI=1S/C16H13FO/c1-2-12-3-5-13(6-4-12)7-8-14-9-10-16(18)15(17)11-14/h3-6,9-11,18H,2H2,1H3
InChIKeySHAYNDYRCILQLI-UHFFFAOYSA-N
MW240.28 g/mol
LogP3.49
Rot. Bonds1

About 4-[2-(4-ethylphenyl)ethynyl]-2-fluorophenol

4-[2-(4-ethylphenyl)ethynyl]-2-fluorophenol (PubChem CID 170842246) has the molecular formula C16H13FO and a molecular weight of 240.28 g/mol. Its IUPAC name is 4-[2-(4-ethylphenyl)ethynyl]-2-fluorophenol.

Molecular Properties

Compound Name4-[2-(4-ethylphenyl)ethynyl]-2-fluorophenol
PubChem CID170842246
Molecular FormulaC16H13FO
Molecular Weight240.28 g/mol
Exact Mass240.10
IUPAC Name4-[2-(4-ethylphenyl)ethynyl]-2-fluorophenol
SMILESCCc1ccc(C#Cc2ccc(O)c(F)c2)cc1
InChIInChI=1S/C16H13FO/c1-2-12-3-5-13(6-4-12)7-8-14-9-10-16(18)15(17)11-14/h3-6,9-11,18H,2H2,1H3
InChIKeySHAYNDYRCILQLI-UHFFFAOYSA-N
XLogP3.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-ethylphenyl)ethynyl]-2-fluoro-4-[2-(3-fluoro-4-methylphenyl)ethynyl]benzene
CID 22112309
2-fluoro-4-[2-(4-heptoxyphenyl)ethynyl]phenol
CID 58721263
2-fluoro-4-[2-[4-[(4-prop-1-en-2-ylcyclohexyl)methyl]phenyl]ethynyl]phenol
CID 20724154
4-[2-[4-(4-ethylphenyl)phenyl]ethynyl]-2-fluoro-1-isothiocyanatobenzene
CID 101361583
5-[2-(4-butylphenyl)ethynyl]-2-[2-(4-ethylphenyl)ethynyl]-1,3-difluorobenzene
CID 54272628
1-[2-[4-[2-(4-ethylphenyl)ethynyl]phenyl]ethynyl]-2-fluoro-4-methylbenzene
CID 22112182
1-butyl-4-[2-[4-[2-(4-ethylphenyl)ethynyl]-3-fluorophenyl]ethynyl]-2-fluorobenzene
CID 22112421
1-butyl-4-[2-[4-[2-(4-ethylphenyl)ethynyl]-2-fluorophenyl]ethynyl]-2-fluorobenzene
CID 22112368
1-bromo-4-[2-(4-ethylphenyl)ethynyl]-2,5-difluorobenzene
CID 130454231
6-[2-(4-ethylphenyl)ethynyl]-1-fluoro-2-[2-(3,4,5-trifluorophenyl)ethynyl]naphthalene
CID 139850630
5-[2-(4-ethylphenyl)ethynyl]-1,3-difluoro-2-(2-isothiocyanatoethynyl)benzene
CID 176767967
2-[2-[4-[2-(4-ethyl-2-fluorophenyl)ethynyl]-2-fluorophenyl]ethynyl]-6-fluoronaphthalene
CID 139858954

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-ethylphenyl)ethynyl]-2-fluorophenol?
The IUPAC name of 4-[2-(4-ethylphenyl)ethynyl]-2-fluorophenol (CID 170842246) is 4-[2-(4-ethylphenyl)ethynyl]-2-fluorophenol.
What is the SMILES notation for 4-[2-(4-ethylphenyl)ethynyl]-2-fluorophenol?
The canonical SMILES for 4-[2-(4-ethylphenyl)ethynyl]-2-fluorophenol is CCc1ccc(C#Cc2ccc(O)c(F)c2)cc1.
What is the InChIKey of 4-[2-(4-ethylphenyl)ethynyl]-2-fluorophenol?
The InChIKey is SHAYNDYRCILQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FO/c1-2-12-3-5-13(6-4-12)7-8-14-9-10-16(18)15(17)11-14/h3-6,9-11,18H,2H2,1H3.
What are the key properties of 4-[2-(4-ethylphenyl)ethynyl]-2-fluorophenol?
4-[2-(4-ethylphenyl)ethynyl]-2-fluorophenol has a molecular weight of 240.28 g/mol, XLogP of 3.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-ethylphenyl)ethynyl]-2-fluorophenol is sourced from PubChem (CID 170842246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).