5-fluoro-3-[(4-methoxy-3-propan-2-ylphenyl)methylidene]-1,2-dihydroindole

C19H20FNO — CID 70299435

IUPAC5-fluoro-3-[(4-methoxy-3-propan-2-ylphenyl)methylidene]-1,2-dihydroindole
SMILESCOc1ccc(C=C2CNc3ccc(F)cc32)cc1C(C)C
InChIInChI=1S/C19H20FNO/c1-12(2)16-9-13(4-7-19(16)22-3)8-14-11-21-18-6-5-15(20)10-17(14)18/h4-10,12,21H,11H2,1-3H3
InChIKeyBECYQZLHMGBGDA-UHFFFAOYSA-N
MW297.37 g/mol
LogP4.92
Rot. Bonds3

About 5-fluoro-3-[(4-methoxy-3-propan-2-ylphenyl)methylidene]-1,2-dihydroindole

5-fluoro-3-[(4-methoxy-3-propan-2-ylphenyl)methylidene]-1,2-dihydroindole (PubChem CID 70299435) has the molecular formula C19H20FNO and a molecular weight of 297.37 g/mol. Its IUPAC name is 5-fluoro-3-[(4-methoxy-3-propan-2-ylphenyl)methylidene]-1,2-dihydroindole.

Molecular Properties

Compound Name5-fluoro-3-[(4-methoxy-3-propan-2-ylphenyl)methylidene]-1,2-dihydroindole
PubChem CID70299435
Molecular FormulaC19H20FNO
Molecular Weight297.37 g/mol
Exact Mass297.15
IUPAC Name5-fluoro-3-[(4-methoxy-3-propan-2-ylphenyl)methylidene]-1,2-dihydroindole
SMILESCOc1ccc(C=C2CNc3ccc(F)cc32)cc1C(C)C
InChIInChI=1S/C19H20FNO/c1-12(2)16-9-13(4-7-19(16)22-3)8-14-11-21-18-6-5-15(20)10-17(14)18/h4-10,12,21H,11H2,1-3H3
InChIKeyBECYQZLHMGBGDA-UHFFFAOYSA-N
XLogP4.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3E)-3-[(3-cyclopentyl-4-methoxyphenyl)methylidene]-5-fluoro-1,2-dihydroindole
CID 70252836
(3E)-5-fluoro-3-[(4-methoxy-3-propan-2-ylphenyl)methylidene]-1H-indol-2-one
CID 22500239
4-fluoro-1-methoxy-2-propan-2-ylbenzene
CID 53399241
(4E)-2-(4-fluorophenyl)-4-[(4-methoxy-3-propan-2-ylphenyl)methylidene]-1H-imidazol-5-one
CID 136895739
5-fluoro-3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one
CID 54391150
1-fluoro-2-methoxy-3-propan-2-ylbenzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene
CID 177172407
(3Z)-6-fluoro-3-[[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene]thiochromen-4-one
CID 7945746
(1R)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 26597266
(4E)-4-[(3-ethoxy-4-methoxyphenyl)methylidene]-7-fluoro-2,3-dihydro-1-benzoxepin-5-one
CID 24650439
(3Z)-3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-6-fluorothiochromen-4-one
CID 7945748
(4E)-4-[(4-methoxy-3-propan-2-ylphenyl)methylidene]-2-pyridin-4-yl-1H-imidazol-5-one
CID 136895732
1-(5-fluoro-2-methoxyphenyl)-N,N-dimethylethanamine
CID 116914588

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[(4-methoxy-3-propan-2-ylphenyl)methylidene]-1,2-dihydroindole?
The IUPAC name of 5-fluoro-3-[(4-methoxy-3-propan-2-ylphenyl)methylidene]-1,2-dihydroindole (CID 70299435) is 5-fluoro-3-[(4-methoxy-3-propan-2-ylphenyl)methylidene]-1,2-dihydroindole.
What is the SMILES notation for 5-fluoro-3-[(4-methoxy-3-propan-2-ylphenyl)methylidene]-1,2-dihydroindole?
The canonical SMILES for 5-fluoro-3-[(4-methoxy-3-propan-2-ylphenyl)methylidene]-1,2-dihydroindole is COc1ccc(C=C2CNc3ccc(F)cc32)cc1C(C)C.
What is the InChIKey of 5-fluoro-3-[(4-methoxy-3-propan-2-ylphenyl)methylidene]-1,2-dihydroindole?
The InChIKey is BECYQZLHMGBGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO/c1-12(2)16-9-13(4-7-19(16)22-3)8-14-11-21-18-6-5-15(20)10-17(14)18/h4-10,12,21H,11H2,1-3H3.
What are the key properties of 5-fluoro-3-[(4-methoxy-3-propan-2-ylphenyl)methylidene]-1,2-dihydroindole?
5-fluoro-3-[(4-methoxy-3-propan-2-ylphenyl)methylidene]-1,2-dihydroindole has a molecular weight of 297.37 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[(4-methoxy-3-propan-2-ylphenyl)methylidene]-1,2-dihydroindole is sourced from PubChem (CID 70299435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).