6,7-difluoro-3-(methoxymethoxy)-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-ol

C23H30F2O3Si — CID 169315117

IUPAC6,7-difluoro-3-(methoxymethoxy)-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-ol
SMILESCOCOc1cc(O)c2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c(F)c(F)cc2c1
InChIInChI=1S/C23H30F2O3Si/c1-14(2)29(15(3)4,16(5)6)9-8-19-22-17(11-20(24)23(19)25)10-18(12-21(22)26)28-13-27-7/h10-12,14-16,26H,13H2,1-7H3
InChIKeyHJCWSKHZXDTIQA-UHFFFAOYSA-N
MW420.57 g/mol
LogP6.38
Rot. Bonds6

About 6,7-difluoro-3-(methoxymethoxy)-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-ol

6,7-difluoro-3-(methoxymethoxy)-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-ol (PubChem CID 169315117) has the molecular formula C23H30F2O3Si and a molecular weight of 420.57 g/mol. Its IUPAC name is 6,7-difluoro-3-(methoxymethoxy)-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-ol.

Molecular Properties

Compound Name6,7-difluoro-3-(methoxymethoxy)-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-ol
PubChem CID169315117
Molecular FormulaC23H30F2O3Si
Molecular Weight420.57 g/mol
Exact Mass420.19
IUPAC Name6,7-difluoro-3-(methoxymethoxy)-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-ol
SMILESCOCOc1cc(O)c2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c(F)c(F)cc2c1
InChIInChI=1S/C23H30F2O3Si/c1-14(2)29(15(3)4,16(5)6)9-8-19-22-17(11-20(24)23(19)25)10-18(12-21(22)26)28-13-27-7/h10-12,14-16,26H,13H2,1-7H3
InChIKeyHJCWSKHZXDTIQA-UHFFFAOYSA-N
XLogP6.38
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.57
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-3-(methoxymethoxy)-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-ol?
The IUPAC name of 6,7-difluoro-3-(methoxymethoxy)-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-ol (CID 169315117) is 6,7-difluoro-3-(methoxymethoxy)-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-ol.
What is the SMILES notation for 6,7-difluoro-3-(methoxymethoxy)-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-ol?
The canonical SMILES for 6,7-difluoro-3-(methoxymethoxy)-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-ol is COCOc1cc(O)c2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c(F)c(F)cc2c1.
What is the InChIKey of 6,7-difluoro-3-(methoxymethoxy)-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-ol?
The InChIKey is HJCWSKHZXDTIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F2O3Si/c1-14(2)29(15(3)4,16(5)6)9-8-19-22-17(11-20(24)23(19)25)10-18(12-21(22)26)28-13-27-7/h10-12,14-16,26H,13H2,1-7H3.
What are the key properties of 6,7-difluoro-3-(methoxymethoxy)-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-ol?
6,7-difluoro-3-(methoxymethoxy)-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-ol has a molecular weight of 420.57 g/mol, XLogP of 6.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-3-(methoxymethoxy)-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-ol is sourced from PubChem (CID 169315117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).