3-[(2-hydroxy-5-methylphenyl)methylidene]-5,6-dimethoxy-1H-indol-2-one

C18H17NO4 — CID 3794321

IUPAC3-[(2-hydroxy-5-methylphenyl)methylidene]-5,6-dimethoxy-1H-indol-2-one
SMILESCOc1cc2c(cc1OC)C(=Cc1cc(C)ccc1O)C(=O)N2
InChIInChI=1S/C18H17NO4/c1-10-4-5-15(20)11(6-10)7-13-12-8-16(22-2)17(23-3)9-14(12)19-18(13)21/h4-9,20H,1-3H3,(H,19,21)
InChIKeyGMOICSBQJLDXDC-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.21
Rot. Bonds3

About 3-[(2-hydroxy-5-methylphenyl)methylidene]-5,6-dimethoxy-1H-indol-2-one

3-[(2-hydroxy-5-methylphenyl)methylidene]-5,6-dimethoxy-1H-indol-2-one (PubChem CID 3794321) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is 3-[(2-hydroxy-5-methylphenyl)methylidene]-5,6-dimethoxy-1H-indol-2-one.

Molecular Properties

Compound Name3-[(2-hydroxy-5-methylphenyl)methylidene]-5,6-dimethoxy-1H-indol-2-one
PubChem CID3794321
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name3-[(2-hydroxy-5-methylphenyl)methylidene]-5,6-dimethoxy-1H-indol-2-one
SMILESCOc1cc2c(cc1OC)C(=Cc1cc(C)ccc1O)C(=O)N2
InChIInChI=1S/C18H17NO4/c1-10-4-5-15(20)11(6-10)7-13-12-8-16(22-2)17(23-3)9-14(12)19-18(13)21/h4-9,20H,1-3H3,(H,19,21)
InChIKeyGMOICSBQJLDXDC-UHFFFAOYSA-N
XLogP3.21
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.21
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'}

Analyze 3-[(2-hydroxy-5-methylphenyl)methylidene]-5,6-dimethoxy-1H-indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2-hydroxy-5-nitrophenyl)methylidene]-5,6-dimethoxy-1H-indol-2-one
CID 3777776
3-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-5,6-dimethoxy-1H-indol-2-one
CID 3379285
(3Z)-3-[(3-ethoxy-2-hydroxyphenyl)methylidene]-5,6-dimethoxy-1H-indol-2-one
CID 51063603
(3Z)-3-[(2-hydroxy-5-methoxy-3-nitrophenyl)methylidene]-5,6-dimethoxy-1H-indol-2-one
CID 6889590
(3E)-5-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one
CID 92962049
(3E)-3-[(2-hydroxy-6-nitronaphthalen-1-yl)methylidene]-5,6-dimethoxy-1H-indol-2-one
CID 6889422
3-[(4-ethoxyphenyl)methylidene]-5,6-dimethoxy-1H-indol-2-one
CID 936230
(3E)-3-(1H-indol-3-ylmethylidene)-5-methoxy-6-methyl-1H-indol-2-one
CID 46901563
(3Z)-3-(1H-indol-3-ylmethylidene)-5-methoxy-6-methyl-1H-indol-2-one
CID 45028054
6-hydroxy-5-methoxy-1H-indole-2,3-dione
CID 12693770
6-chloro-3-[(4-hydroxy-3-methoxyphenyl)methylidene]-1H-indol-2-one
CID 78212058
5-bromo-3-[(2-methoxyphenyl)methylidene]-1H-indol-2-one
CID 5147801

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-5-methylphenyl)methylidene]-5,6-dimethoxy-1H-indol-2-one?
The IUPAC name of 3-[(2-hydroxy-5-methylphenyl)methylidene]-5,6-dimethoxy-1H-indol-2-one (CID 3794321) is 3-[(2-hydroxy-5-methylphenyl)methylidene]-5,6-dimethoxy-1H-indol-2-one.
What is the SMILES notation for 3-[(2-hydroxy-5-methylphenyl)methylidene]-5,6-dimethoxy-1H-indol-2-one?
The canonical SMILES for 3-[(2-hydroxy-5-methylphenyl)methylidene]-5,6-dimethoxy-1H-indol-2-one is COc1cc2c(cc1OC)C(=Cc1cc(C)ccc1O)C(=O)N2.
What is the InChIKey of 3-[(2-hydroxy-5-methylphenyl)methylidene]-5,6-dimethoxy-1H-indol-2-one?
The InChIKey is GMOICSBQJLDXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c1-10-4-5-15(20)11(6-10)7-13-12-8-16(22-2)17(23-3)9-14(12)19-18(13)21/h4-9,20H,1-3H3,(H,19,21).
What are the key properties of 3-[(2-hydroxy-5-methylphenyl)methylidene]-5,6-dimethoxy-1H-indol-2-one?
3-[(2-hydroxy-5-methylphenyl)methylidene]-5,6-dimethoxy-1H-indol-2-one has a molecular weight of 311.34 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxy-5-methylphenyl)methylidene]-5,6-dimethoxy-1H-indol-2-one is sourced from PubChem (CID 3794321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).