4-chloro-2-phenyl-3,5-bis(trifluoromethyl)phenol

C14H7ClF6O — CID 57271832

IUPAC4-chloro-2-phenyl-3,5-bis(trifluoromethyl)phenol
SMILESOc1cc(C(F)(F)F)c(Cl)c(C(F)(F)F)c1-c1ccccc1
InChIInChI=1S/C14H7ClF6O/c15-12-8(13(16,17)18)6-9(22)10(11(12)14(19,20)21)7-4-2-1-3-5-7/h1-6,22H
InChIKeyWXVPWSXFHAWPLS-UHFFFAOYSA-N
MW340.65 g/mol
LogP5.75
Rot. Bonds1

About 4-chloro-2-phenyl-3,5-bis(trifluoromethyl)phenol

4-chloro-2-phenyl-3,5-bis(trifluoromethyl)phenol (PubChem CID 57271832) has the molecular formula C14H7ClF6O and a molecular weight of 340.65 g/mol. Its IUPAC name is 4-chloro-2-phenyl-3,5-bis(trifluoromethyl)phenol.

Molecular Properties

Compound Name4-chloro-2-phenyl-3,5-bis(trifluoromethyl)phenol
PubChem CID57271832
Molecular FormulaC14H7ClF6O
Molecular Weight340.65 g/mol
Exact Mass340.01
IUPAC Name4-chloro-2-phenyl-3,5-bis(trifluoromethyl)phenol
SMILESOc1cc(C(F)(F)F)c(Cl)c(C(F)(F)F)c1-c1ccccc1
InChIInChI=1S/C14H7ClF6O/c15-12-8(13(16,17)18)6-9(22)10(11(12)14(19,20)21)7-4-2-1-3-5-7/h1-6,22H
InChIKeyWXVPWSXFHAWPLS-UHFFFAOYSA-N
XLogP5.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.65
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-phenyl-3,5-bis(trifluoromethyl)phenol?
The IUPAC name of 4-chloro-2-phenyl-3,5-bis(trifluoromethyl)phenol (CID 57271832) is 4-chloro-2-phenyl-3,5-bis(trifluoromethyl)phenol.
What is the SMILES notation for 4-chloro-2-phenyl-3,5-bis(trifluoromethyl)phenol?
The canonical SMILES for 4-chloro-2-phenyl-3,5-bis(trifluoromethyl)phenol is Oc1cc(C(F)(F)F)c(Cl)c(C(F)(F)F)c1-c1ccccc1.
What is the InChIKey of 4-chloro-2-phenyl-3,5-bis(trifluoromethyl)phenol?
The InChIKey is WXVPWSXFHAWPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClF6O/c15-12-8(13(16,17)18)6-9(22)10(11(12)14(19,20)21)7-4-2-1-3-5-7/h1-6,22H.
What are the key properties of 4-chloro-2-phenyl-3,5-bis(trifluoromethyl)phenol?
4-chloro-2-phenyl-3,5-bis(trifluoromethyl)phenol has a molecular weight of 340.65 g/mol, XLogP of 5.75, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-phenyl-3,5-bis(trifluoromethyl)phenol is sourced from PubChem (CID 57271832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).