4-methoxy-2,3-bis(trifluoromethyl)phenol

C9H6F6O2 — CID 22595244

IUPAC4-methoxy-2,3-bis(trifluoromethyl)phenol
SMILESCOc1ccc(O)c(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C9H6F6O2/c1-17-5-3-2-4(16)6(8(10,11)12)7(5)9(13,14)15/h2-3,16H,1H3
InChIKeyUEDIOIZNSAPMSH-UHFFFAOYSA-N
MW260.13 g/mol
LogP3.44
Rot. Bonds1

About 4-methoxy-2,3-bis(trifluoromethyl)phenol

4-methoxy-2,3-bis(trifluoromethyl)phenol (PubChem CID 22595244) has the molecular formula C9H6F6O2 and a molecular weight of 260.13 g/mol. Its IUPAC name is 4-methoxy-2,3-bis(trifluoromethyl)phenol.

Molecular Properties

Compound Name4-methoxy-2,3-bis(trifluoromethyl)phenol
PubChem CID22595244
Molecular FormulaC9H6F6O2
Molecular Weight260.13 g/mol
Exact Mass260.03
IUPAC Name4-methoxy-2,3-bis(trifluoromethyl)phenol
SMILESCOc1ccc(O)c(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C9H6F6O2/c1-17-5-3-2-4(16)6(8(10,11)12)7(5)9(13,14)15/h2-3,16H,1H3
InChIKeyUEDIOIZNSAPMSH-UHFFFAOYSA-N
XLogP3.44
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,3-bis(trifluoromethyl)phenol?
The IUPAC name of 4-methoxy-2,3-bis(trifluoromethyl)phenol (CID 22595244) is 4-methoxy-2,3-bis(trifluoromethyl)phenol.
What is the SMILES notation for 4-methoxy-2,3-bis(trifluoromethyl)phenol?
The canonical SMILES for 4-methoxy-2,3-bis(trifluoromethyl)phenol is COc1ccc(O)c(C(F)(F)F)c1C(F)(F)F.
What is the InChIKey of 4-methoxy-2,3-bis(trifluoromethyl)phenol?
The InChIKey is UEDIOIZNSAPMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F6O2/c1-17-5-3-2-4(16)6(8(10,11)12)7(5)9(13,14)15/h2-3,16H,1H3.
What are the key properties of 4-methoxy-2,3-bis(trifluoromethyl)phenol?
4-methoxy-2,3-bis(trifluoromethyl)phenol has a molecular weight of 260.13 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,3-bis(trifluoromethyl)phenol is sourced from PubChem (CID 22595244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).