(2Z)-4,6-dihydroxy-2-[(1-methyl-2-phenylindol-3-yl)methylidene]-1-benzofuran-3-one

C24H17NO4 — CID 46885600

IUPAC(2Z)-4,6-dihydroxy-2-[(1-methyl-2-phenylindol-3-yl)methylidene]-1-benzofuran-3-one
SMILESCn1c(-c2ccccc2)c(/C=C2\Oc3cc(O)cc(O)c3C2=O)c2ccccc21
InChIInChI=1S/C24H17NO4/c1-25-18-10-6-5-9-16(18)17(23(25)14-7-3-2-4-8-14)13-21-24(28)22-19(27)11-15(26)12-20(22)29-21/h2-13,26-27H,1H3/b21-13-
InChIKeyCDRBGHJNUBPWFB-BKUYFWCQSA-N
MW383.40 g/mol
LogP4.87
Rot. Bonds2

About (2Z)-4,6-dihydroxy-2-[(1-methyl-2-phenylindol-3-yl)methylidene]-1-benzofuran-3-one

(2Z)-4,6-dihydroxy-2-[(1-methyl-2-phenylindol-3-yl)methylidene]-1-benzofuran-3-one (PubChem CID 46885600) has the molecular formula C24H17NO4 and a molecular weight of 383.40 g/mol. Its IUPAC name is (2Z)-4,6-dihydroxy-2-[(1-methyl-2-phenylindol-3-yl)methylidene]-1-benzofuran-3-one.

Molecular Properties

Compound Name(2Z)-4,6-dihydroxy-2-[(1-methyl-2-phenylindol-3-yl)methylidene]-1-benzofuran-3-one
PubChem CID46885600
Molecular FormulaC24H17NO4
Molecular Weight383.40 g/mol
Exact Mass383.12
IUPAC Name(2Z)-4,6-dihydroxy-2-[(1-methyl-2-phenylindol-3-yl)methylidene]-1-benzofuran-3-one
SMILESCn1c(-c2ccccc2)c(/C=C2\Oc3cc(O)cc(O)c3C2=O)c2ccccc21
InChIInChI=1S/C24H17NO4/c1-25-18-10-6-5-9-16(18)17(23(25)14-7-3-2-4-8-14)13-21-24(28)22-19(27)11-15(26)12-20(22)29-21/h2-13,26-27H,1H3/b21-13-
InChIKeyCDRBGHJNUBPWFB-BKUYFWCQSA-N
XLogP4.87
TPSA71.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-4,6-dihydroxy-2-[[1-methyl-2-(4-propan-2-yloxyphenyl)indol-3-yl]methylidene]-1-benzofuran-3-one
CID 69003007
(2Z)-4,6-dihydroxy-2-[(1-methyl-2-phenylpyrrolo[2,3-b]pyridin-3-yl)methylidene]-1-benzofuran-3-one
CID 59228815
2-[(1-benzyl-2-phenylindol-3-yl)methylidene]-4,6-dihydroxy-1-benzofuran-3-one
CID 67028348
(2Z)-4,6-dihydroxy-2-[[2-phenyl-1-(pyridin-4-ylmethyl)indol-3-yl]methylidene]-1-benzofuran-3-one
CID 69006599
(2E)-2-[(5-chloro-1,2-dimethylindol-3-yl)methylidene]-4,6-dihydroxy-1-benzofuran-3-one
CID 68999723
4,6-dihydroxy-2-[(1-methyl-4-phenylindol-3-yl)methylidene]-1-benzofuran-3-one
CID 67028526
(2Z)-2-[[2-(4-fluorophenyl)-1H-indol-3-yl]methylidene]-4,6-dihydroxy-1-benzofuran-3-one
CID 44554910
4,6-dihydroxy-2-[[1-(pyridin-4-ylmethyl)indol-3-yl]methylidene]-1-benzofuran-3-one
CID 69003046
[4-[3-[(4,6-dihydroxy-3-oxo-1-benzofuran-2-ylidene)methyl]-1-methylindol-4-yl]phenyl]-methylcarbamic acid
CID 67028210
(2E)-2-[(5-chloro-2-methyl-1H-indol-3-yl)methylidene]-4,6-dihydroxy-1-benzofuran-3-one
CID 69001293
2-[(4-fluorophenyl)methylidene]-4,6-dihydroxy-1-benzofuran-3-one
CID 71395967
2-[3-[(4,6-dihydroxy-3-oxo-1-benzofuran-2-ylidene)methyl]-5-methoxy-2-(1-methylpyrazol-4-yl)indol-1-yl]-N,N-dimethylacetamide
CID 67028397

Frequently Asked Questions

What is the IUPAC name of (2Z)-4,6-dihydroxy-2-[(1-methyl-2-phenylindol-3-yl)methylidene]-1-benzofuran-3-one?
The IUPAC name of (2Z)-4,6-dihydroxy-2-[(1-methyl-2-phenylindol-3-yl)methylidene]-1-benzofuran-3-one (CID 46885600) is (2Z)-4,6-dihydroxy-2-[(1-methyl-2-phenylindol-3-yl)methylidene]-1-benzofuran-3-one.
What is the SMILES notation for (2Z)-4,6-dihydroxy-2-[(1-methyl-2-phenylindol-3-yl)methylidene]-1-benzofuran-3-one?
The canonical SMILES for (2Z)-4,6-dihydroxy-2-[(1-methyl-2-phenylindol-3-yl)methylidene]-1-benzofuran-3-one is Cn1c(-c2ccccc2)c(/C=C2\Oc3cc(O)cc(O)c3C2=O)c2ccccc21.
What is the InChIKey of (2Z)-4,6-dihydroxy-2-[(1-methyl-2-phenylindol-3-yl)methylidene]-1-benzofuran-3-one?
The InChIKey is CDRBGHJNUBPWFB-BKUYFWCQSA-N. The full InChI is InChI=1S/C24H17NO4/c1-25-18-10-6-5-9-16(18)17(23(25)14-7-3-2-4-8-14)13-21-24(28)22-19(27)11-15(26)12-20(22)29-21/h2-13,26-27H,1H3/b21-13-.
What are the key properties of (2Z)-4,6-dihydroxy-2-[(1-methyl-2-phenylindol-3-yl)methylidene]-1-benzofuran-3-one?
(2Z)-4,6-dihydroxy-2-[(1-methyl-2-phenylindol-3-yl)methylidene]-1-benzofuran-3-one has a molecular weight of 383.40 g/mol, XLogP of 4.87, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-4,6-dihydroxy-2-[(1-methyl-2-phenylindol-3-yl)methylidene]-1-benzofuran-3-one is sourced from PubChem (CID 46885600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).