4-(1-ethylpyrrol-2-yl)-2-fluorophenol

C12H12FNO — CID 57241898

IUPAC4-(1-ethylpyrrol-2-yl)-2-fluorophenol
SMILESCCn1cccc1-c1ccc(O)c(F)c1
InChIInChI=1S/C12H12FNO/c1-2-14-7-3-4-11(14)9-5-6-12(15)10(13)8-9/h3-8,15H,2H2,1H3
InChIKeyIYQFZFXUYDHFIC-UHFFFAOYSA-N
MW205.23 g/mol
LogP3.02
Rot. Bonds2

About 4-(1-ethylpyrrol-2-yl)-2-fluorophenol

4-(1-ethylpyrrol-2-yl)-2-fluorophenol (PubChem CID 57241898) has the molecular formula C12H12FNO and a molecular weight of 205.23 g/mol. Its IUPAC name is 4-(1-ethylpyrrol-2-yl)-2-fluorophenol.

Molecular Properties

Compound Name4-(1-ethylpyrrol-2-yl)-2-fluorophenol
PubChem CID57241898
Molecular FormulaC12H12FNO
Molecular Weight205.23 g/mol
Exact Mass205.09
IUPAC Name4-(1-ethylpyrrol-2-yl)-2-fluorophenol
SMILESCCn1cccc1-c1ccc(O)c(F)c1
InChIInChI=1S/C12H12FNO/c1-2-14-7-3-4-11(14)9-5-6-12(15)10(13)8-9/h3-8,15H,2H2,1H3
InChIKeyIYQFZFXUYDHFIC-UHFFFAOYSA-N
XLogP3.02
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,4'-Dihydroxydiphenyl(2-pyridyl)methane
CID 69046
NoName_714
CID 135489221
5-(2-fluoro-4-hydroxyphenyl)-1-methyl-1H-pyrrole-2-carbonitrile
CID 132471744
4-[4,5-Bis(4-hydroxyphenyl)-1-propylpyrrol-2-yl]phenol
CID 71457218
4-[2-(2-Pyridinyl)ethyl]phenol
CID 279650
4-(Pyridin-2-ylmethyl)phenol
CID 603599
Alpha-(2-pyridylmethylene)-O-cresol
CID 642844
4-[2,5-Bis(4-hydroxyphenyl)-1-propylpyrrol-3-yl]-3-fluorophenol
CID 71450113
4-[3,5-Bis(4-hydroxyphenyl)-1-propylpyrrol-2-yl]-3-fluorophenol
CID 71453712
4-[4,5-Bis(4-hydroxyphenyl)-1-propylpyrrol-2-yl]-3-fluorophenol
CID 71457266
3-Fluoro-4-[5-(2-fluoro-4-hydroxyphenyl)-4-(4-hydroxyphenyl)-1-propylpyrrol-2-yl]phenol
CID 71459076
4-[4,5-Bis(2-fluoro-4-hydroxyphenyl)-1-propylpyrrol-2-yl]-3-fluorophenol
CID 71460882

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylpyrrol-2-yl)-2-fluorophenol?
The IUPAC name of 4-(1-ethylpyrrol-2-yl)-2-fluorophenol (CID 57241898) is 4-(1-ethylpyrrol-2-yl)-2-fluorophenol.
What is the SMILES notation for 4-(1-ethylpyrrol-2-yl)-2-fluorophenol?
The canonical SMILES for 4-(1-ethylpyrrol-2-yl)-2-fluorophenol is CCn1cccc1-c1ccc(O)c(F)c1.
What is the InChIKey of 4-(1-ethylpyrrol-2-yl)-2-fluorophenol?
The InChIKey is IYQFZFXUYDHFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO/c1-2-14-7-3-4-11(14)9-5-6-12(15)10(13)8-9/h3-8,15H,2H2,1H3.
What are the key properties of 4-(1-ethylpyrrol-2-yl)-2-fluorophenol?
4-(1-ethylpyrrol-2-yl)-2-fluorophenol has a molecular weight of 205.23 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylpyrrol-2-yl)-2-fluorophenol is sourced from PubChem (CID 57241898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).