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5-(1-benzofuran-2-yl)-3-fluoro-2-propan-2-ylphenol

C17H15FO2 — CID 170781894

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5-(1-benzofuran-2-yl)-3-fluoro-2-propan-2-ylphenol
SMILESCC(C)c1c(O)cc(-c2cc3ccccc3o2)cc1F
InChIInChI=1S/C17H15FO2/c1-10(2)17-13(18)7-12(8-14(17)19)16-9-11-5-3-4-6-15(11)20-16/h3-10,19H,1-2H3
InChIKeyDIZMDXFRXULLSM-UHFFFAOYSA-N
MW270.30 g/mol
LogP5.07
Rot. Bonds2

About 5-(1-benzofuran-2-yl)-3-fluoro-2-propan-2-ylphenol

5-(1-benzofuran-2-yl)-3-fluoro-2-propan-2-ylphenol (PubChem CID 170781894) has the molecular formula C17H15FO2 and a molecular weight of 270.30 g/mol. Its IUPAC name is 5-(1-benzofuran-2-yl)-3-fluoro-2-propan-2-ylphenol.

Molecular Properties

Compound Name5-(1-benzofuran-2-yl)-3-fluoro-2-propan-2-ylphenol
PubChem CID170781894
Molecular FormulaC17H15FO2
Molecular Weight270.30 g/mol
Exact Mass270.11
IUPAC Name5-(1-benzofuran-2-yl)-3-fluoro-2-propan-2-ylphenol
SMILESCC(C)c1c(O)cc(-c2cc3ccccc3o2)cc1F
InChIInChI=1S/C17H15FO2/c1-10(2)17-13(18)7-12(8-14(17)19)16-9-11-5-3-4-6-15(11)20-16/h3-10,19H,1-2H3
InChIKeyDIZMDXFRXULLSM-UHFFFAOYSA-N
XLogP5.07
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.30
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1-benzofuran-2-yl)-3-fluoro-2-propan-2-ylphenol?
The IUPAC name of 5-(1-benzofuran-2-yl)-3-fluoro-2-propan-2-ylphenol (CID 170781894) is 5-(1-benzofuran-2-yl)-3-fluoro-2-propan-2-ylphenol.
What is the SMILES notation for 5-(1-benzofuran-2-yl)-3-fluoro-2-propan-2-ylphenol?
The canonical SMILES for 5-(1-benzofuran-2-yl)-3-fluoro-2-propan-2-ylphenol is CC(C)c1c(O)cc(-c2cc3ccccc3o2)cc1F.
What is the InChIKey of 5-(1-benzofuran-2-yl)-3-fluoro-2-propan-2-ylphenol?
The InChIKey is DIZMDXFRXULLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FO2/c1-10(2)17-13(18)7-12(8-14(17)19)16-9-11-5-3-4-6-15(11)20-16/h3-10,19H,1-2H3.
What are the key properties of 5-(1-benzofuran-2-yl)-3-fluoro-2-propan-2-ylphenol?
5-(1-benzofuran-2-yl)-3-fluoro-2-propan-2-ylphenol has a molecular weight of 270.30 g/mol, XLogP of 5.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzofuran-2-yl)-3-fluoro-2-propan-2-ylphenol is sourced from PubChem (CID 170781894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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