3-chloro-2-ethyl-4-fluorophenol

C8H8ClFO — CID 75365718

IUPAC3-chloro-2-ethyl-4-fluorophenol
SMILESCCc1c(O)ccc(F)c1Cl
InChIInChI=1S/C8H8ClFO/c1-2-5-7(11)4-3-6(10)8(5)9/h3-4,11H,2H2,1H3
InChIKeyDKURNKZMXNLSLP-UHFFFAOYSA-N
MW174.60 g/mol
LogP2.75
Rot. Bonds1

About 3-chloro-2-ethyl-4-fluorophenol

3-chloro-2-ethyl-4-fluorophenol (PubChem CID 75365718) has the molecular formula C8H8ClFO and a molecular weight of 174.60 g/mol. Its IUPAC name is 3-chloro-2-ethyl-4-fluorophenol.

Molecular Properties

Compound Name3-chloro-2-ethyl-4-fluorophenol
PubChem CID75365718
Molecular FormulaC8H8ClFO
Molecular Weight174.60 g/mol
Exact Mass174.02
IUPAC Name3-chloro-2-ethyl-4-fluorophenol
SMILESCCc1c(O)ccc(F)c1Cl
InChIInChI=1S/C8H8ClFO/c1-2-5-7(11)4-3-6(10)8(5)9/h3-4,11H,2H2,1H3
InChIKeyDKURNKZMXNLSLP-UHFFFAOYSA-N
XLogP2.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.60
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-Chloro-2-methylphenol
CID 79192
3-Chloro-o-cresol
CID 14856
3-Chloro-4-methylphenol
CID 14853
4-Chloro-3-ethylphenol
CID 84223
Phenol, chlorodimethyl-
CID 74075
4-Chloro-2-Ethylphenol
CID 29357
2-Allyl-4-chlorophenol
CID 84143
2-Chloro-2'-hydroxybiphenyl
CID 20100299
2-Ethyl-4-fluorophenol
CID 2737185
Phenol, chloro(phenylmethyl)-
CID 3080582
2,2'-Methylenebis(3-chlorophenol)
CID 71351776
3-Chloro-2-phenylphenol
CID 46322

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-ethyl-4-fluorophenol?
The IUPAC name of 3-chloro-2-ethyl-4-fluorophenol (CID 75365718) is 3-chloro-2-ethyl-4-fluorophenol.
What is the SMILES notation for 3-chloro-2-ethyl-4-fluorophenol?
The canonical SMILES for 3-chloro-2-ethyl-4-fluorophenol is CCc1c(O)ccc(F)c1Cl.
What is the InChIKey of 3-chloro-2-ethyl-4-fluorophenol?
The InChIKey is DKURNKZMXNLSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFO/c1-2-5-7(11)4-3-6(10)8(5)9/h3-4,11H,2H2,1H3.
What are the key properties of 3-chloro-2-ethyl-4-fluorophenol?
3-chloro-2-ethyl-4-fluorophenol has a molecular weight of 174.60 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-ethyl-4-fluorophenol is sourced from PubChem (CID 75365718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).