6-(2,5-dimethoxyphenyl)naphthalen-2-ol;2,2,2-trifluoroacetic acid

C20H17F3O5 — CID 167927166

IUPAC6-(2,5-dimethoxyphenyl)naphthalen-2-ol;2,2,2-trifluoroacetic acid
SMILESCOc1ccc(OC)c(-c2ccc3cc(O)ccc3c2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H16O3.C2HF3O2/c1-20-16-7-8-18(21-2)17(11-16)14-4-3-13-10-15(19)6-5-12(13)9-14;3-2(4,5)1(6)7/h3-11,19H,1-2H3;(H,6,7)
InChIKeyUNXCZKDHRZTWEU-UHFFFAOYSA-N
MW394.35 g/mol
LogP4.86
Rot. Bonds3

About 6-(2,5-dimethoxyphenyl)naphthalen-2-ol;2,2,2-trifluoroacetic acid

6-(2,5-dimethoxyphenyl)naphthalen-2-ol;2,2,2-trifluoroacetic acid (PubChem CID 167927166) has the molecular formula C20H17F3O5 and a molecular weight of 394.35 g/mol. Its IUPAC name is 6-(2,5-dimethoxyphenyl)naphthalen-2-ol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name6-(2,5-dimethoxyphenyl)naphthalen-2-ol;2,2,2-trifluoroacetic acid
PubChem CID167927166
Molecular FormulaC20H17F3O5
Molecular Weight394.35 g/mol
Exact Mass394.10
IUPAC Name6-(2,5-dimethoxyphenyl)naphthalen-2-ol;2,2,2-trifluoroacetic acid
SMILESCOc1ccc(OC)c(-c2ccc3cc(O)ccc3c2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H16O3.C2HF3O2/c1-20-16-7-8-18(21-2)17(11-16)14-4-3-13-10-15(19)6-5-12(13)9-14;3-2(4,5)1(6)7/h3-11,19H,1-2H3;(H,6,7)
InChIKeyUNXCZKDHRZTWEU-UHFFFAOYSA-N
XLogP4.86
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.35
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-hydroxy-2-methoxyphenyl)naphthalen-2-ol
CID 10125342
2-[4-(2,5-dimethoxyphenyl)phenyl]-1,4-dimethoxybenzene
CID 172792841
4-(2,5-dimethoxyphenyl)-2-fluorophenol
CID 53219549
6-(2-fluoro-5-methoxyphenyl)naphthalene-2-carboxylic acid
CID 172868745
4-(2,5-dimethoxyphenyl)-2-methylphenol
CID 53219026
5-(2,5-dimethoxyphenyl)pyridine-2-carboxylic acid
CID 53211472
4-(6-methoxynaphthalen-2-yl)-3-(trifluoromethyl)benzoic acid
CID 67974824
6-(2,5-dimethoxyphenyl)-2-hydroxycyclohepta-2,4,6-trien-1-one
CID 71476627
anisole;2,2,2-trifluoroacetic acid
CID 66633105
3-amino-5-(2,5-dimethoxyphenyl)benzoic acid
CID 53227230
2-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetic acid
CID 176513640
3-(3-hydroxyphenyl)-4-methoxybenzoic acid
CID 115045204

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethoxyphenyl)naphthalen-2-ol;2,2,2-trifluoroacetic acid?
The IUPAC name of 6-(2,5-dimethoxyphenyl)naphthalen-2-ol;2,2,2-trifluoroacetic acid (CID 167927166) is 6-(2,5-dimethoxyphenyl)naphthalen-2-ol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 6-(2,5-dimethoxyphenyl)naphthalen-2-ol;2,2,2-trifluoroacetic acid?
The canonical SMILES for 6-(2,5-dimethoxyphenyl)naphthalen-2-ol;2,2,2-trifluoroacetic acid is COc1ccc(OC)c(-c2ccc3cc(O)ccc3c2)c1.O=C(O)C(F)(F)F.
What is the InChIKey of 6-(2,5-dimethoxyphenyl)naphthalen-2-ol;2,2,2-trifluoroacetic acid?
The InChIKey is UNXCZKDHRZTWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O3.C2HF3O2/c1-20-16-7-8-18(21-2)17(11-16)14-4-3-13-10-15(19)6-5-12(13)9-14;3-2(4,5)1(6)7/h3-11,19H,1-2H3;(H,6,7).
What are the key properties of 6-(2,5-dimethoxyphenyl)naphthalen-2-ol;2,2,2-trifluoroacetic acid?
6-(2,5-dimethoxyphenyl)naphthalen-2-ol;2,2,2-trifluoroacetic acid has a molecular weight of 394.35 g/mol, XLogP of 4.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethoxyphenyl)naphthalen-2-ol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 167927166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).