(3E)-5-methoxy-3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one

C23H27NO3 — CID 22500303

IUPAC(3E)-5-methoxy-3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one
SMILESCOc1ccc2c(c1)/C(=C\c1cc(C(C)C)c(OC)c(C(C)C)c1)C(=O)N2
InChIInChI=1S/C23H27NO3/c1-13(2)17-9-15(10-18(14(3)4)22(17)27-6)11-20-19-12-16(26-5)7-8-21(19)24-23(20)25/h7-14H,1-6H3,(H,24,25)/b20-11+
InChIKeyZUSFTVLLEUKZJH-RGVLZGJSSA-N
MW365.47 g/mol
LogP5.44
Rot. Bonds5

About (3E)-5-methoxy-3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one

(3E)-5-methoxy-3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one (PubChem CID 22500303) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is (3E)-5-methoxy-3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-5-methoxy-3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one
PubChem CID22500303
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Name(3E)-5-methoxy-3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one
SMILESCOc1ccc2c(c1)/C(=C\c1cc(C(C)C)c(OC)c(C(C)C)c1)C(=O)N2
InChIInChI=1S/C23H27NO3/c1-13(2)17-9-15(10-18(14(3)4)22(17)27-6)11-20-19-12-16(26-5)7-8-21(19)24-23(20)25/h7-14H,1-6H3,(H,24,25)/b20-11+
InChIKeyZUSFTVLLEUKZJH-RGVLZGJSSA-N
XLogP5.44
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.47
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3E)-5-methoxy-3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-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

(3E)-3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-5-methyl-1H-indol-2-one
CID 22500209
5-iodo-3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one
CID 57066860
5-fluoro-3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one
CID 54391150
(3E)-6-amino-3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one
CID 22500204
(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-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-methoxy-1H-indol-2-one
CID 118714393
3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-6-(trifluoromethyl)-1H-indol-2-one
CID 54490013
(3E)-5-fluoro-3-[(4-methoxy-3-propan-2-ylphenyl)methylidene]-1H-indol-2-one
CID 22500239
6-hydroxy-3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one;N-[3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-2-oxo-1H-indol-6-yl]acetamide
CID 158270852
(3E)-5-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one
CID 92962049
5-fluoro-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one
CID 3450009
(3Z)-5-bromo-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one
CID 6075235

Frequently Asked Questions

What is the IUPAC name of (3E)-5-methoxy-3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one?
The IUPAC name of (3E)-5-methoxy-3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one (CID 22500303) is (3E)-5-methoxy-3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-5-methoxy-3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-5-methoxy-3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one is COc1ccc2c(c1)/C(=C\c1cc(C(C)C)c(OC)c(C(C)C)c1)C(=O)N2.
What is the InChIKey of (3E)-5-methoxy-3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one?
The InChIKey is ZUSFTVLLEUKZJH-RGVLZGJSSA-N. The full InChI is InChI=1S/C23H27NO3/c1-13(2)17-9-15(10-18(14(3)4)22(17)27-6)11-20-19-12-16(26-5)7-8-21(19)24-23(20)25/h7-14H,1-6H3,(H,24,25)/b20-11+.
What are the key properties of (3E)-5-methoxy-3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one?
(3E)-5-methoxy-3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one has a molecular weight of 365.47 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-methoxy-3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one is sourced from PubChem (CID 22500303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).