(2Z)-2-[[2-(4-fluorophenyl)-1H-indol-3-yl]methylidene]-4,6-dihydroxy-1-benzofuran-3-one

C23H14FNO4 — CID 44554910

IUPAC(2Z)-2-[[2-(4-fluorophenyl)-1H-indol-3-yl]methylidene]-4,6-dihydroxy-1-benzofuran-3-one
SMILESO=C1/C(=C/c2c(-c3ccc(F)cc3)[nH]c3ccccc23)Oc2cc(O)cc(O)c21
InChIInChI=1S/C23H14FNO4/c24-13-7-5-12(6-8-13)22-16(15-3-1-2-4-17(15)25-22)11-20-23(28)21-18(27)9-14(26)10-19(21)29-20/h1-11,25-27H/b20-11-
InChIKeyRBDLBRJWMFPRHT-JAIQZWGSSA-N
MW387.37 g/mol
LogP5.00
Rot. Bonds2

About (2Z)-2-[[2-(4-fluorophenyl)-1H-indol-3-yl]methylidene]-4,6-dihydroxy-1-benzofuran-3-one

(2Z)-2-[[2-(4-fluorophenyl)-1H-indol-3-yl]methylidene]-4,6-dihydroxy-1-benzofuran-3-one (PubChem CID 44554910) has the molecular formula C23H14FNO4 and a molecular weight of 387.37 g/mol. Its IUPAC name is (2Z)-2-[[2-(4-fluorophenyl)-1H-indol-3-yl]methylidene]-4,6-dihydroxy-1-benzofuran-3-one.

Molecular Properties

Compound Name(2Z)-2-[[2-(4-fluorophenyl)-1H-indol-3-yl]methylidene]-4,6-dihydroxy-1-benzofuran-3-one
PubChem CID44554910
Molecular FormulaC23H14FNO4
Molecular Weight387.37 g/mol
Exact Mass387.09
IUPAC Name(2Z)-2-[[2-(4-fluorophenyl)-1H-indol-3-yl]methylidene]-4,6-dihydroxy-1-benzofuran-3-one
SMILESO=C1/C(=C/c2c(-c3ccc(F)cc3)[nH]c3ccccc23)Oc2cc(O)cc(O)c21
InChIInChI=1S/C23H14FNO4/c24-13-7-5-12(6-8-13)22-16(15-3-1-2-4-17(15)25-22)11-20-23(28)21-18(27)9-14(26)10-19(21)29-20/h1-11,25-27H/b20-11-
InChIKeyRBDLBRJWMFPRHT-JAIQZWGSSA-N
XLogP5.00
TPSA82.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.37
LogP ≤ 55.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[(5-fluoro-2-methyl-1H-indol-3-yl)methylidene]-4,6-dihydroxy-1-benzofuran-3-one
CID 67027755
2-[(4-fluorophenyl)methylidene]-4,6-dihydroxy-1-benzofuran-3-one
CID 71395967
(2Z)-4,6-dihydroxy-2-[[5-methoxy-2-(1-methylpyrazol-4-yl)-1H-indol-3-yl]methylidene]-1-benzofuran-3-one
CID 69002985
(2Z)-4,6-dihydroxy-2-[(4-phenylphenyl)methylidene]-1-benzofuran-3-one
CID 90676895
(2E)-2-[(5-chloro-2-methyl-1H-indol-3-yl)methylidene]-4,6-dihydroxy-1-benzofuran-3-one
CID 69001293
2-[[2-(4-fluorophenyl)-1H-indol-3-yl]methylidene]-7-methoxy-1-benzofuran-3-one
CID 67027898
(2Z)-4,6-dihydroxy-2-[(1-methyl-2-phenylindol-3-yl)methylidene]-1-benzofuran-3-one
CID 46885600
2-[(7-bromo-2-methyl-1H-indol-3-yl)methylidene]-4,6-dihydroxy-1-benzofuran-3-one
CID 67028077
2-[(1-benzyl-2-phenylindol-3-yl)methylidene]-4,6-dihydroxy-1-benzofuran-3-one
CID 67028348
(2Z)-4,6-dihydroxy-2-[(1-methyl-2-phenylpyrrolo[2,3-b]pyridin-3-yl)methylidene]-1-benzofuran-3-one
CID 59228815
(2Z)-6,7-dihydroxy-2-[(2-naphthalen-2-yl-1H-indol-3-yl)methylidene]-1-benzofuran-3-one
CID 69004476
(2Z)-4,6-dihydroxy-2-[[1-methyl-2-(4-propan-2-yloxyphenyl)indol-3-yl]methylidene]-1-benzofuran-3-one
CID 69003007

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[[2-(4-fluorophenyl)-1H-indol-3-yl]methylidene]-4,6-dihydroxy-1-benzofuran-3-one?
The IUPAC name of (2Z)-2-[[2-(4-fluorophenyl)-1H-indol-3-yl]methylidene]-4,6-dihydroxy-1-benzofuran-3-one (CID 44554910) is (2Z)-2-[[2-(4-fluorophenyl)-1H-indol-3-yl]methylidene]-4,6-dihydroxy-1-benzofuran-3-one.
What is the SMILES notation for (2Z)-2-[[2-(4-fluorophenyl)-1H-indol-3-yl]methylidene]-4,6-dihydroxy-1-benzofuran-3-one?
The canonical SMILES for (2Z)-2-[[2-(4-fluorophenyl)-1H-indol-3-yl]methylidene]-4,6-dihydroxy-1-benzofuran-3-one is O=C1/C(=C/c2c(-c3ccc(F)cc3)[nH]c3ccccc23)Oc2cc(O)cc(O)c21.
What is the InChIKey of (2Z)-2-[[2-(4-fluorophenyl)-1H-indol-3-yl]methylidene]-4,6-dihydroxy-1-benzofuran-3-one?
The InChIKey is RBDLBRJWMFPRHT-JAIQZWGSSA-N. The full InChI is InChI=1S/C23H14FNO4/c24-13-7-5-12(6-8-13)22-16(15-3-1-2-4-17(15)25-22)11-20-23(28)21-18(27)9-14(26)10-19(21)29-20/h1-11,25-27H/b20-11-.
What are the key properties of (2Z)-2-[[2-(4-fluorophenyl)-1H-indol-3-yl]methylidene]-4,6-dihydroxy-1-benzofuran-3-one?
(2Z)-2-[[2-(4-fluorophenyl)-1H-indol-3-yl]methylidene]-4,6-dihydroxy-1-benzofuran-3-one has a molecular weight of 387.37 g/mol, XLogP of 5.00, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[[2-(4-fluorophenyl)-1H-indol-3-yl]methylidene]-4,6-dihydroxy-1-benzofuran-3-one is sourced from PubChem (CID 44554910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).