4-ethoxy-2-iodo-6-(trifluoromethyl)phenol

C9H8F3IO2 — CID 171002578

IUPAC4-ethoxy-2-iodo-6-(trifluoromethyl)phenol
SMILESCCOc1cc(I)c(O)c(C(F)(F)F)c1
InChIInChI=1S/C9H8F3IO2/c1-2-15-5-3-6(9(10,11)12)8(14)7(13)4-5/h3-4,14H,2H2,1H3
InChIKeyBNQZRAUKEFPMKS-UHFFFAOYSA-N
MW332.06 g/mol
LogP3.41
Rot. Bonds2

About 4-ethoxy-2-iodo-6-(trifluoromethyl)phenol

4-ethoxy-2-iodo-6-(trifluoromethyl)phenol (PubChem CID 171002578) has the molecular formula C9H8F3IO2 and a molecular weight of 332.06 g/mol. Its IUPAC name is 4-ethoxy-2-iodo-6-(trifluoromethyl)phenol.

Molecular Properties

Compound Name4-ethoxy-2-iodo-6-(trifluoromethyl)phenol
PubChem CID171002578
Molecular FormulaC9H8F3IO2
Molecular Weight332.06 g/mol
Exact Mass331.95
IUPAC Name4-ethoxy-2-iodo-6-(trifluoromethyl)phenol
SMILESCCOc1cc(I)c(O)c(C(F)(F)F)c1
InChIInChI=1S/C9H8F3IO2/c1-2-15-5-3-6(9(10,11)12)8(14)7(13)4-5/h3-4,14H,2H2,1H3
InChIKeyBNQZRAUKEFPMKS-UHFFFAOYSA-N
XLogP3.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.06
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,6-ditert-butyl-4-ethoxyphenol;ethane
CID 143041042
5-ethoxy-1-iodo-3-(trifluoromethoxy)-2-(trifluoromethyl)benzene
CID 171003077
3-ethoxy-4-iodo-5-(trifluoromethyl)phenol
CID 171002962
4-methoxy-2,6-bis(trifluoromethyl)phenol
CID 134639085
4-hydroxy-3-iodo-5-(trifluoromethyl)benzoic acid
CID 123218137
5-ethoxy-2-fluoro-1-iodo-3-methylbenzene
CID 131287027
4-ethoxy-1-methoxy-2-(trifluoromethyl)benzene
CID 175522284
4-ethoxy-1-(trifluoromethoxy)-2-(trifluoromethyl)benzene
CID 170999648
[4-ethoxy-2-(trifluoromethyl)phenoxy]boronic acid
CID 22035006
1-ethoxy-4-iodo-5-(trifluoromethoxy)-2-(trifluoromethyl)benzene
CID 171003510
2-ethoxy-6-iodo-4-methylphenol
CID 131395873
ethyl 4-hydroxy-5-iodo-2-(trifluoromethyl)benzoate
CID 11068370

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-iodo-6-(trifluoromethyl)phenol?
The IUPAC name of 4-ethoxy-2-iodo-6-(trifluoromethyl)phenol (CID 171002578) is 4-ethoxy-2-iodo-6-(trifluoromethyl)phenol.
What is the SMILES notation for 4-ethoxy-2-iodo-6-(trifluoromethyl)phenol?
The canonical SMILES for 4-ethoxy-2-iodo-6-(trifluoromethyl)phenol is CCOc1cc(I)c(O)c(C(F)(F)F)c1.
What is the InChIKey of 4-ethoxy-2-iodo-6-(trifluoromethyl)phenol?
The InChIKey is BNQZRAUKEFPMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3IO2/c1-2-15-5-3-6(9(10,11)12)8(14)7(13)4-5/h3-4,14H,2H2,1H3.
What are the key properties of 4-ethoxy-2-iodo-6-(trifluoromethyl)phenol?
4-ethoxy-2-iodo-6-(trifluoromethyl)phenol has a molecular weight of 332.06 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-iodo-6-(trifluoromethyl)phenol is sourced from PubChem (CID 171002578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).