5-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-1-ol

C17H10ClF3O2 — CID 14370277

IUPAC5-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-1-ol
SMILESOc1cccc2c(Oc3ccc(C(F)(F)F)cc3Cl)cccc12
InChIInChI=1S/C17H10ClF3O2/c18-13-9-10(17(19,20)21)7-8-16(13)23-15-6-2-3-11-12(15)4-1-5-14(11)22/h1-9,22H
InChIKeyIHPIOFPKPMRTLZ-UHFFFAOYSA-N
MW338.71 g/mol
LogP6.01
Rot. Bonds2

About 5-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-1-ol

5-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-1-ol (PubChem CID 14370277) has the molecular formula C17H10ClF3O2 and a molecular weight of 338.71 g/mol. Its IUPAC name is 5-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-1-ol.

Molecular Properties

Compound Name5-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-1-ol
PubChem CID14370277
Molecular FormulaC17H10ClF3O2
Molecular Weight338.71 g/mol
Exact Mass338.03
IUPAC Name5-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-1-ol
SMILESOc1cccc2c(Oc3ccc(C(F)(F)F)cc3Cl)cccc12
InChIInChI=1S/C17H10ClF3O2/c18-13-9-10(17(19,20)21)7-8-16(13)23-15-6-2-3-11-12(15)4-1-5-14(11)22/h1-9,22H
InChIKeyIHPIOFPKPMRTLZ-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 5-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-1-ol?
The IUPAC name of 5-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-1-ol (CID 14370277) is 5-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-1-ol.
What is the SMILES notation for 5-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-1-ol?
The canonical SMILES for 5-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-1-ol is Oc1cccc2c(Oc3ccc(C(F)(F)F)cc3Cl)cccc12.
What is the InChIKey of 5-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-1-ol?
The InChIKey is IHPIOFPKPMRTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF3O2/c18-13-9-10(17(19,20)21)7-8-16(13)23-15-6-2-3-11-12(15)4-1-5-14(11)22/h1-9,22H.
What are the key properties of 5-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-1-ol?
5-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-1-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 5-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-1-ol is sourced from PubChem (CID 14370277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).