7-[2-chloro-6-methoxy-4-(trifluoromethyl)phenoxy]naphthalen-2-ol

C18H12ClF3O3 — CID 14996346

IUPAC7-[2-chloro-6-methoxy-4-(trifluoromethyl)phenoxy]naphthalen-2-ol
SMILESCOc1cc(C(F)(F)F)cc(Cl)c1Oc1ccc2ccc(O)cc2c1
InChIInChI=1S/C18H12ClF3O3/c1-24-16-9-12(18(20,21)22)8-15(19)17(16)25-14-5-3-10-2-4-13(23)6-11(10)7-14/h2-9,23H,1H3
InChIKeyALGPPTKJMZPYNJ-UHFFFAOYSA-N
MW368.74 g/mol
LogP6.02
Rot. Bonds3

About 7-[2-chloro-6-methoxy-4-(trifluoromethyl)phenoxy]naphthalen-2-ol

7-[2-chloro-6-methoxy-4-(trifluoromethyl)phenoxy]naphthalen-2-ol (PubChem CID 14996346) has the molecular formula C18H12ClF3O3 and a molecular weight of 368.74 g/mol. Its IUPAC name is 7-[2-chloro-6-methoxy-4-(trifluoromethyl)phenoxy]naphthalen-2-ol.

Molecular Properties

Compound Name7-[2-chloro-6-methoxy-4-(trifluoromethyl)phenoxy]naphthalen-2-ol
PubChem CID14996346
Molecular FormulaC18H12ClF3O3
Molecular Weight368.74 g/mol
Exact Mass368.04
IUPAC Name7-[2-chloro-6-methoxy-4-(trifluoromethyl)phenoxy]naphthalen-2-ol
SMILESCOc1cc(C(F)(F)F)cc(Cl)c1Oc1ccc2ccc(O)cc2c1
InChIInChI=1S/C18H12ClF3O3/c1-24-16-9-12(18(20,21)22)8-15(19)17(16)25-14-5-3-10-2-4-13(23)6-11(10)7-14/h2-9,23H,1H3
InChIKeyALGPPTKJMZPYNJ-UHFFFAOYSA-N
XLogP6.02
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.74
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 71718966
CID 71718966
CID 447409
CID 447409
CID 13630678
CID 13630678
CID 21617837
CID 21617837
CID 103038503
CID 103038503
CID 103046921
CID 103046921
CID 103047090
CID 103047090
CID 103047091
CID 103047091
CID 898361
CID 898361
CID 3750294
CID 3750294
CID 3842398
CID 3842398
CID 20181704
CID 20181704

Frequently Asked Questions

What is the IUPAC name of 7-[2-chloro-6-methoxy-4-(trifluoromethyl)phenoxy]naphthalen-2-ol?
The IUPAC name of 7-[2-chloro-6-methoxy-4-(trifluoromethyl)phenoxy]naphthalen-2-ol (CID 14996346) is 7-[2-chloro-6-methoxy-4-(trifluoromethyl)phenoxy]naphthalen-2-ol.
What is the SMILES notation for 7-[2-chloro-6-methoxy-4-(trifluoromethyl)phenoxy]naphthalen-2-ol?
The canonical SMILES for 7-[2-chloro-6-methoxy-4-(trifluoromethyl)phenoxy]naphthalen-2-ol is COc1cc(C(F)(F)F)cc(Cl)c1Oc1ccc2ccc(O)cc2c1.
What is the InChIKey of 7-[2-chloro-6-methoxy-4-(trifluoromethyl)phenoxy]naphthalen-2-ol?
The InChIKey is ALGPPTKJMZPYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF3O3/c1-24-16-9-12(18(20,21)22)8-15(19)17(16)25-14-5-3-10-2-4-13(23)6-11(10)7-14/h2-9,23H,1H3.
What are the key properties of 7-[2-chloro-6-methoxy-4-(trifluoromethyl)phenoxy]naphthalen-2-ol?
7-[2-chloro-6-methoxy-4-(trifluoromethyl)phenoxy]naphthalen-2-ol has a molecular weight of 368.74 g/mol, XLogP of 6.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-chloro-6-methoxy-4-(trifluoromethyl)phenoxy]naphthalen-2-ol is sourced from PubChem (CID 14996346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).