6-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-ol

C17H10ClF3O2 — CID 14520298

IUPAC6-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-ol
SMILESOc1ccc2cc(Oc3ccc(C(F)(F)F)cc3Cl)ccc2c1
InChIInChI=1S/C17H10ClF3O2/c18-15-9-12(17(19,20)21)3-6-16(15)23-14-5-2-10-7-13(22)4-1-11(10)8-14/h1-9,22H
InChIKeyICLBFAIWBHBOTH-UHFFFAOYSA-N
MW338.71 g/mol
LogP6.01
Rot. Bonds2

About 6-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-ol

6-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-ol (PubChem CID 14520298) has the molecular formula C17H10ClF3O2 and a molecular weight of 338.71 g/mol. Its IUPAC name is 6-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-ol.

Molecular Properties

Compound Name6-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-ol
PubChem CID14520298
Molecular FormulaC17H10ClF3O2
Molecular Weight338.71 g/mol
Exact Mass338.03
IUPAC Name6-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-ol
SMILESOc1ccc2cc(Oc3ccc(C(F)(F)F)cc3Cl)ccc2c1
InChIInChI=1S/C17H10ClF3O2/c18-15-9-12(17(19,20)21)3-6-16(15)23-14-5-2-10-7-13(22)4-1-11(10)8-14/h1-9,22H
InChIKeyICLBFAIWBHBOTH-UHFFFAOYSA-N
XLogP6.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.71
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-ol?
The IUPAC name of 6-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-ol (CID 14520298) is 6-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-ol.
What is the SMILES notation for 6-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-ol?
The canonical SMILES for 6-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-ol is Oc1ccc2cc(Oc3ccc(C(F)(F)F)cc3Cl)ccc2c1.
What is the InChIKey of 6-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-ol?
The InChIKey is ICLBFAIWBHBOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF3O2/c18-15-9-12(17(19,20)21)3-6-16(15)23-14-5-2-10-7-13(22)4-1-11(10)8-14/h1-9,22H.
What are the key properties of 6-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-ol?
6-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-ol has a molecular weight of 338.71 g/mol, XLogP of 6.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-ol is sourced from PubChem (CID 14520298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).