(3Z)-3-[(3-hydroxy-4-methoxyphenyl)methylidene]-6-methoxy-1H-indol-2-one

C17H15NO4 — CID 67357920

IUPAC(3Z)-3-[(3-hydroxy-4-methoxyphenyl)methylidene]-6-methoxy-1H-indol-2-one
SMILESCOc1ccc2c(c1)NC(=O)/C2=C\c1ccc(OC)c(O)c1
InChIInChI=1S/C17H15NO4/c1-21-11-4-5-12-13(17(20)18-14(12)9-11)7-10-3-6-16(22-2)15(19)8-10/h3-9,19H,1-2H3,(H,18,20)/b13-7-
InChIKeyHWRMDTQMWAGGTH-QPEQYQDCSA-N
MW297.31 g/mol
LogP2.90
Rot. Bonds3

About (3Z)-3-[(3-hydroxy-4-methoxyphenyl)methylidene]-6-methoxy-1H-indol-2-one

(3Z)-3-[(3-hydroxy-4-methoxyphenyl)methylidene]-6-methoxy-1H-indol-2-one (PubChem CID 67357920) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is (3Z)-3-[(3-hydroxy-4-methoxyphenyl)methylidene]-6-methoxy-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[(3-hydroxy-4-methoxyphenyl)methylidene]-6-methoxy-1H-indol-2-one
PubChem CID67357920
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Name(3Z)-3-[(3-hydroxy-4-methoxyphenyl)methylidene]-6-methoxy-1H-indol-2-one
SMILESCOc1ccc2c(c1)NC(=O)/C2=C\c1ccc(OC)c(O)c1
InChIInChI=1S/C17H15NO4/c1-21-11-4-5-12-13(17(20)18-14(12)9-11)7-10-3-6-16(22-2)15(19)8-10/h3-9,19H,1-2H3,(H,18,20)/b13-7-
InChIKeyHWRMDTQMWAGGTH-QPEQYQDCSA-N
XLogP2.90
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-3-[(3-hydroxy-4-methoxyphenyl)methylidene]-1H-indol-2-one
CID 66985431
6-chloro-3-[(4-hydroxy-3-methoxyphenyl)methylidene]-1H-indol-2-one
CID 78212058
3-[(3-bromophenyl)methylidene]-6-methoxy-1H-indol-2-one
CID 71237885
(3Z)-3-[(4-dimethoxyphosphorylphenyl)methylidene]-6-methoxy-1H-indol-2-one
CID 23398029
3-[(4-hydroxy-3-methoxyphenyl)methylidene]-1H-indol-2-one
CID 3486422
6-chloro-3-[(4-methoxyphenyl)methylidene]-1H-indol-2-one
CID 66632701
(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-1H-indol-2-one
CID 727477
(5Z)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-1-(3-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 2180201
5-[(6-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-3-methyl-1H-pyrrole-2-carboxylic acid
CID 68792464
(4E)-4-[(3-hydroxy-4-methoxyphenyl)methylidene]-1-(4-methoxyphenyl)pyrazolidine-3,5-dione
CID 44591835
(3E)-5-methoxy-3-[[3-[(E)-(5-methoxy-2-oxo-1H-indol-3-ylidene)methyl]phenyl]methylidene]-1H-indol-2-one
CID 46887441
(3E)-3-[(4-methoxyphenyl)methylidene]-1H-indol-2-one
CID 727515

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(3-hydroxy-4-methoxyphenyl)methylidene]-6-methoxy-1H-indol-2-one?
The IUPAC name of (3Z)-3-[(3-hydroxy-4-methoxyphenyl)methylidene]-6-methoxy-1H-indol-2-one (CID 67357920) is (3Z)-3-[(3-hydroxy-4-methoxyphenyl)methylidene]-6-methoxy-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[(3-hydroxy-4-methoxyphenyl)methylidene]-6-methoxy-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[(3-hydroxy-4-methoxyphenyl)methylidene]-6-methoxy-1H-indol-2-one is COc1ccc2c(c1)NC(=O)/C2=C\c1ccc(OC)c(O)c1.
What is the InChIKey of (3Z)-3-[(3-hydroxy-4-methoxyphenyl)methylidene]-6-methoxy-1H-indol-2-one?
The InChIKey is HWRMDTQMWAGGTH-QPEQYQDCSA-N. The full InChI is InChI=1S/C17H15NO4/c1-21-11-4-5-12-13(17(20)18-14(12)9-11)7-10-3-6-16(22-2)15(19)8-10/h3-9,19H,1-2H3,(H,18,20)/b13-7-.
What are the key properties of (3Z)-3-[(3-hydroxy-4-methoxyphenyl)methylidene]-6-methoxy-1H-indol-2-one?
(3Z)-3-[(3-hydroxy-4-methoxyphenyl)methylidene]-6-methoxy-1H-indol-2-one has a molecular weight of 297.31 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(3-hydroxy-4-methoxyphenyl)methylidene]-6-methoxy-1H-indol-2-one is sourced from PubChem (CID 67357920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).