2,3,5-trifluoro-6-(6-hexoxy-3-pyridinyl)naphthalen-1-ol

C21H20F3NO2 — CID 18381129

IUPAC2,3,5-trifluoro-6-(6-hexoxy-3-pyridinyl)naphthalen-1-ol
SMILESCCCCCCOc1ccc(-c2ccc3c(O)c(F)c(F)cc3c2F)cn1
InChIInChI=1S/C21H20F3NO2/c1-2-3-4-5-10-27-18-9-6-13(12-25-18)14-7-8-15-16(19(14)23)11-17(22)20(24)21(15)26/h6-9,11-12,26H,2-5,10H2,1H3
InChIKeyZAWJCONUGPDAQO-UHFFFAOYSA-N
MW375.39 g/mol
LogP5.98
Rot. Bonds7

About 2,3,5-trifluoro-6-(6-hexoxy-3-pyridinyl)naphthalen-1-ol

2,3,5-trifluoro-6-(6-hexoxy-3-pyridinyl)naphthalen-1-ol (PubChem CID 18381129) has the molecular formula C21H20F3NO2 and a molecular weight of 375.39 g/mol. Its IUPAC name is 2,3,5-trifluoro-6-(6-hexoxy-3-pyridinyl)naphthalen-1-ol.

Molecular Properties

Compound Name2,3,5-trifluoro-6-(6-hexoxy-3-pyridinyl)naphthalen-1-ol
PubChem CID18381129
Molecular FormulaC21H20F3NO2
Molecular Weight375.39 g/mol
Exact Mass375.14
IUPAC Name2,3,5-trifluoro-6-(6-hexoxy-3-pyridinyl)naphthalen-1-ol
SMILESCCCCCCOc1ccc(-c2ccc3c(O)c(F)c(F)cc3c2F)cn1
InChIInChI=1S/C21H20F3NO2/c1-2-3-4-5-10-27-18-9-6-13(12-25-18)14-7-8-15-16(19(14)23)11-17(22)20(24)21(15)26/h6-9,11-12,26H,2-5,10H2,1H3
InChIKeyZAWJCONUGPDAQO-UHFFFAOYSA-N
XLogP5.98
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.39
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,5-trifluoro-6-(6-hexoxy-3-pyridinyl)naphthalen-1-ol?
The IUPAC name of 2,3,5-trifluoro-6-(6-hexoxy-3-pyridinyl)naphthalen-1-ol (CID 18381129) is 2,3,5-trifluoro-6-(6-hexoxy-3-pyridinyl)naphthalen-1-ol.
What is the SMILES notation for 2,3,5-trifluoro-6-(6-hexoxy-3-pyridinyl)naphthalen-1-ol?
The canonical SMILES for 2,3,5-trifluoro-6-(6-hexoxy-3-pyridinyl)naphthalen-1-ol is CCCCCCOc1ccc(-c2ccc3c(O)c(F)c(F)cc3c2F)cn1.
What is the InChIKey of 2,3,5-trifluoro-6-(6-hexoxy-3-pyridinyl)naphthalen-1-ol?
The InChIKey is ZAWJCONUGPDAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3NO2/c1-2-3-4-5-10-27-18-9-6-13(12-25-18)14-7-8-15-16(19(14)23)11-17(22)20(24)21(15)26/h6-9,11-12,26H,2-5,10H2,1H3.
What are the key properties of 2,3,5-trifluoro-6-(6-hexoxy-3-pyridinyl)naphthalen-1-ol?
2,3,5-trifluoro-6-(6-hexoxy-3-pyridinyl)naphthalen-1-ol has a molecular weight of 375.39 g/mol, XLogP of 5.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trifluoro-6-(6-hexoxy-3-pyridinyl)naphthalen-1-ol is sourced from PubChem (CID 18381129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).