2-[[4-(3-fluorophenyl)-1-methylindol-3-yl]methylidene]-3H-1-benzofuran-4,6-diol

C24H18FNO3 — CID 67028125

IUPAC2-[[4-(3-fluorophenyl)-1-methylindol-3-yl]methylidene]-3H-1-benzofuran-4,6-diol
SMILESCn1cc(C=C2Cc3c(O)cc(O)cc3O2)c2c(-c3cccc(F)c3)cccc21
InChIInChI=1S/C24H18FNO3/c1-26-13-15(9-18-12-20-22(28)10-17(27)11-23(20)29-18)24-19(6-3-7-21(24)26)14-4-2-5-16(25)8-14/h2-11,13,27-28H,12H2,1H3
InChIKeyVYZYBYSOLZMSLA-UHFFFAOYSA-N
MW387.41 g/mol
LogP5.37
Rot. Bonds2

About 2-[[4-(3-fluorophenyl)-1-methylindol-3-yl]methylidene]-3H-1-benzofuran-4,6-diol

2-[[4-(3-fluorophenyl)-1-methylindol-3-yl]methylidene]-3H-1-benzofuran-4,6-diol (PubChem CID 67028125) has the molecular formula C24H18FNO3 and a molecular weight of 387.41 g/mol. Its IUPAC name is 2-[[4-(3-fluorophenyl)-1-methylindol-3-yl]methylidene]-3H-1-benzofuran-4,6-diol.

Molecular Properties

Compound Name2-[[4-(3-fluorophenyl)-1-methylindol-3-yl]methylidene]-3H-1-benzofuran-4,6-diol
PubChem CID67028125
Molecular FormulaC24H18FNO3
Molecular Weight387.41 g/mol
Exact Mass387.13
IUPAC Name2-[[4-(3-fluorophenyl)-1-methylindol-3-yl]methylidene]-3H-1-benzofuran-4,6-diol
SMILESCn1cc(C=C2Cc3c(O)cc(O)cc3O2)c2c(-c3cccc(F)c3)cccc21
InChIInChI=1S/C24H18FNO3/c1-26-13-15(9-18-12-20-22(28)10-17(27)11-23(20)29-18)24-19(6-3-7-21(24)26)14-4-2-5-16(25)8-14/h2-11,13,27-28H,12H2,1H3
InChIKeyVYZYBYSOLZMSLA-UHFFFAOYSA-N
XLogP5.37
TPSA54.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.41
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-fluorophenyl)-1-methylindol-3-yl]methylidene]-3H-1-benzofuran-4,6-diol?
The IUPAC name of 2-[[4-(3-fluorophenyl)-1-methylindol-3-yl]methylidene]-3H-1-benzofuran-4,6-diol (CID 67028125) is 2-[[4-(3-fluorophenyl)-1-methylindol-3-yl]methylidene]-3H-1-benzofuran-4,6-diol.
What is the SMILES notation for 2-[[4-(3-fluorophenyl)-1-methylindol-3-yl]methylidene]-3H-1-benzofuran-4,6-diol?
The canonical SMILES for 2-[[4-(3-fluorophenyl)-1-methylindol-3-yl]methylidene]-3H-1-benzofuran-4,6-diol is Cn1cc(C=C2Cc3c(O)cc(O)cc3O2)c2c(-c3cccc(F)c3)cccc21.
What is the InChIKey of 2-[[4-(3-fluorophenyl)-1-methylindol-3-yl]methylidene]-3H-1-benzofuran-4,6-diol?
The InChIKey is VYZYBYSOLZMSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FNO3/c1-26-13-15(9-18-12-20-22(28)10-17(27)11-23(20)29-18)24-19(6-3-7-21(24)26)14-4-2-5-16(25)8-14/h2-11,13,27-28H,12H2,1H3.
What are the key properties of 2-[[4-(3-fluorophenyl)-1-methylindol-3-yl]methylidene]-3H-1-benzofuran-4,6-diol?
2-[[4-(3-fluorophenyl)-1-methylindol-3-yl]methylidene]-3H-1-benzofuran-4,6-diol has a molecular weight of 387.41 g/mol, XLogP of 5.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-fluorophenyl)-1-methylindol-3-yl]methylidene]-3H-1-benzofuran-4,6-diol is sourced from PubChem (CID 67028125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).