3-methoxy-5-(trifluoromethyl)phenol

C8H7F3O2 — CID 22571708

IUPAC3-methoxy-5-(trifluoromethyl)phenol
SMILESCOc1cc(O)cc(C(F)(F)F)c1
InChIInChI=1S/C8H7F3O2/c1-13-7-3-5(8(9,10)11)2-6(12)4-7/h2-4,12H,1H3
InChIKeyDFOFNISQFZKBEY-UHFFFAOYSA-N
MW192.14 g/mol
LogP2.42
Rot. Bonds1

About 3-methoxy-5-(trifluoromethyl)phenol

3-methoxy-5-(trifluoromethyl)phenol (PubChem CID 22571708) has the molecular formula C8H7F3O2 and a molecular weight of 192.14 g/mol. Its IUPAC name is 3-methoxy-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name3-methoxy-5-(trifluoromethyl)phenol
PubChem CID22571708
Molecular FormulaC8H7F3O2
Molecular Weight192.14 g/mol
Exact Mass192.04
IUPAC Name3-methoxy-5-(trifluoromethyl)phenol
SMILESCOc1cc(O)cc(C(F)(F)F)c1
InChIInChI=1S/C8H7F3O2/c1-13-7-3-5(8(9,10)11)2-6(12)4-7/h2-4,12H,1H3
InChIKeyDFOFNISQFZKBEY-UHFFFAOYSA-N
XLogP2.42
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-(trifluoromethyl)phenol?
The IUPAC name of 3-methoxy-5-(trifluoromethyl)phenol (CID 22571708) is 3-methoxy-5-(trifluoromethyl)phenol.
What is the SMILES notation for 3-methoxy-5-(trifluoromethyl)phenol?
The canonical SMILES for 3-methoxy-5-(trifluoromethyl)phenol is COc1cc(O)cc(C(F)(F)F)c1.
What is the InChIKey of 3-methoxy-5-(trifluoromethyl)phenol?
The InChIKey is DFOFNISQFZKBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3O2/c1-13-7-3-5(8(9,10)11)2-6(12)4-7/h2-4,12H,1H3.
What are the key properties of 3-methoxy-5-(trifluoromethyl)phenol?
3-methoxy-5-(trifluoromethyl)phenol has a molecular weight of 192.14 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-(trifluoromethyl)phenol is sourced from PubChem (CID 22571708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).