3-[2-methoxy-5-(trifluoromethyl)phenyl]-1-[3-[2-methoxy-5-(trifluoromethyl)phenyl]-2-propan-2-yloxynaphthalen-1-yl]naphthalen-2-ol

C39H30F6O4 — CID 135020484

IUPAC3-[2-methoxy-5-(trifluoromethyl)phenyl]-1-[3-[2-methoxy-5-(trifluoromethyl)phenyl]-2-propan-2-yloxynaphthalen-1-yl]naphthalen-2-ol
SMILESCOc1ccc(C(F)(F)F)cc1-c1cc2ccccc2c(-c2c(OC(C)C)c(-c3cc(C(F)(F)F)ccc3OC)cc3ccccc23)c1O
InChIInChI=1S/C39H30F6O4/c1-21(2)49-37-31(29-20-25(39(43,44)45)14-16-33(29)48-4)18-23-10-6-8-12-27(23)35(37)34-26-11-7-5-9-22(26)17-30(36(34)46)28-19-24(38(40,41)42)13-15-32(28)47-3/h5-21,46H,1-4H3
InChIKeyQOULYNACEKUILN-UHFFFAOYSA-N
MW676.65 g/mol
LogP11.54
Rot. Bonds7

About 3-[2-methoxy-5-(trifluoromethyl)phenyl]-1-[3-[2-methoxy-5-(trifluoromethyl)phenyl]-2-propan-2-yloxynaphthalen-1-yl]naphthalen-2-ol

3-[2-methoxy-5-(trifluoromethyl)phenyl]-1-[3-[2-methoxy-5-(trifluoromethyl)phenyl]-2-propan-2-yloxynaphthalen-1-yl]naphthalen-2-ol (PubChem CID 135020484) has the molecular formula C39H30F6O4 and a molecular weight of 676.65 g/mol. Its IUPAC name is 3-[2-methoxy-5-(trifluoromethyl)phenyl]-1-[3-[2-methoxy-5-(trifluoromethyl)phenyl]-2-propan-2-yloxynaphthalen-1-yl]naphthalen-2-ol.

Molecular Properties

Compound Name3-[2-methoxy-5-(trifluoromethyl)phenyl]-1-[3-[2-methoxy-5-(trifluoromethyl)phenyl]-2-propan-2-yloxynaphthalen-1-yl]naphthalen-2-ol
PubChem CID135020484
Molecular FormulaC39H30F6O4
Molecular Weight676.65 g/mol
Exact Mass676.20
IUPAC Name3-[2-methoxy-5-(trifluoromethyl)phenyl]-1-[3-[2-methoxy-5-(trifluoromethyl)phenyl]-2-propan-2-yloxynaphthalen-1-yl]naphthalen-2-ol
SMILESCOc1ccc(C(F)(F)F)cc1-c1cc2ccccc2c(-c2c(OC(C)C)c(-c3cc(C(F)(F)F)ccc3OC)cc3ccccc23)c1O
InChIInChI=1S/C39H30F6O4/c1-21(2)49-37-31(29-20-25(39(43,44)45)14-16-33(29)48-4)18-23-10-6-8-12-27(23)35(37)34-26-11-7-5-9-22(26)17-30(36(34)46)28-19-24(38(40,41)42)13-15-32(28)47-3/h5-21,46H,1-4H3
InChIKeyQOULYNACEKUILN-UHFFFAOYSA-N
XLogP11.54
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.65
LogP ≤ 511.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxy-5-(trifluoromethyl)phenyl]-1-[3-[2-methoxy-5-(trifluoromethyl)phenyl]-2-propan-2-yloxynaphthalen-1-yl]naphthalen-2-ol?
The IUPAC name of 3-[2-methoxy-5-(trifluoromethyl)phenyl]-1-[3-[2-methoxy-5-(trifluoromethyl)phenyl]-2-propan-2-yloxynaphthalen-1-yl]naphthalen-2-ol (CID 135020484) is 3-[2-methoxy-5-(trifluoromethyl)phenyl]-1-[3-[2-methoxy-5-(trifluoromethyl)phenyl]-2-propan-2-yloxynaphthalen-1-yl]naphthalen-2-ol.
What is the SMILES notation for 3-[2-methoxy-5-(trifluoromethyl)phenyl]-1-[3-[2-methoxy-5-(trifluoromethyl)phenyl]-2-propan-2-yloxynaphthalen-1-yl]naphthalen-2-ol?
The canonical SMILES for 3-[2-methoxy-5-(trifluoromethyl)phenyl]-1-[3-[2-methoxy-5-(trifluoromethyl)phenyl]-2-propan-2-yloxynaphthalen-1-yl]naphthalen-2-ol is COc1ccc(C(F)(F)F)cc1-c1cc2ccccc2c(-c2c(OC(C)C)c(-c3cc(C(F)(F)F)ccc3OC)cc3ccccc23)c1O.
What is the InChIKey of 3-[2-methoxy-5-(trifluoromethyl)phenyl]-1-[3-[2-methoxy-5-(trifluoromethyl)phenyl]-2-propan-2-yloxynaphthalen-1-yl]naphthalen-2-ol?
The InChIKey is QOULYNACEKUILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H30F6O4/c1-21(2)49-37-31(29-20-25(39(43,44)45)14-16-33(29)48-4)18-23-10-6-8-12-27(23)35(37)34-26-11-7-5-9-22(26)17-30(36(34)46)28-19-24(38(40,41)42)13-15-32(28)47-3/h5-21,46H,1-4H3.
What are the key properties of 3-[2-methoxy-5-(trifluoromethyl)phenyl]-1-[3-[2-methoxy-5-(trifluoromethyl)phenyl]-2-propan-2-yloxynaphthalen-1-yl]naphthalen-2-ol?
3-[2-methoxy-5-(trifluoromethyl)phenyl]-1-[3-[2-methoxy-5-(trifluoromethyl)phenyl]-2-propan-2-yloxynaphthalen-1-yl]naphthalen-2-ol has a molecular weight of 676.65 g/mol, XLogP of 11.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxy-5-(trifluoromethyl)phenyl]-1-[3-[2-methoxy-5-(trifluoromethyl)phenyl]-2-propan-2-yloxynaphthalen-1-yl]naphthalen-2-ol is sourced from PubChem (CID 135020484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).