1-(2-methoxyphenoxy)-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one

C21H23NO3 — CID 5162027

IUPAC1-(2-methoxyphenoxy)-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one
SMILESCOc1ccccc1OCC(=O)C=C1N(C)c2ccccc2C1(C)C
InChIInChI=1S/C21H23NO3/c1-21(2)16-9-5-6-10-17(16)22(3)20(21)13-15(23)14-25-19-12-8-7-11-18(19)24-4/h5-13H,14H2,1-4H3
InChIKeyYXHXZKWFJIVGEC-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.95
Rot. Bonds5

About 1-(2-methoxyphenoxy)-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one

1-(2-methoxyphenoxy)-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one (PubChem CID 5162027) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-(2-methoxyphenoxy)-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one.

Molecular Properties

Compound Name1-(2-methoxyphenoxy)-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one
PubChem CID5162027
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name1-(2-methoxyphenoxy)-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one
SMILESCOc1ccccc1OCC(=O)C=C1N(C)c2ccccc2C1(C)C
InChIInChI=1S/C21H23NO3/c1-21(2)16-9-5-6-10-17(16)22(3)20(21)13-15(23)14-25-19-12-8-7-11-18(19)24-4/h5-13H,14H2,1-4H3
InChIKeyYXHXZKWFJIVGEC-UHFFFAOYSA-N
XLogP3.95
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-quinolin-8-yloxy-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one
CID 3467330
[(3Z)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] 2,4,5-trimethoxybenzoate
CID 2437996
[(3E)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] 2-ethoxybenzoate
CID 7668993
(3Z)-1-(3-bromophenoxy)-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one
CID 2341763
(4E)-3-oxo-4-(1,3,3-trimethylindol-2-ylidene)butanamide
CID 2330522
[(3E)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] benzoate
CID 2355569
N-[3-[2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propoxy]phenyl]acetamide
CID 3936401
[2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
CID 3628832
[(3E)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] 4-(2-amino-2-oxoethoxy)benzoate
CID 92863328
[2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] 2-(2,4-dichlorophenoxy)acetate
CID 3377126
[(3Z)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 18285591
[2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] 4-(2-oxo-2-phenylacetyl)benzoate
CID 3653366

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenoxy)-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one?
The IUPAC name of 1-(2-methoxyphenoxy)-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one (CID 5162027) is 1-(2-methoxyphenoxy)-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one.
What is the SMILES notation for 1-(2-methoxyphenoxy)-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one?
The canonical SMILES for 1-(2-methoxyphenoxy)-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one is COc1ccccc1OCC(=O)C=C1N(C)c2ccccc2C1(C)C.
What is the InChIKey of 1-(2-methoxyphenoxy)-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one?
The InChIKey is YXHXZKWFJIVGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c1-21(2)16-9-5-6-10-17(16)22(3)20(21)13-15(23)14-25-19-12-8-7-11-18(19)24-4/h5-13H,14H2,1-4H3.
What are the key properties of 1-(2-methoxyphenoxy)-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one?
1-(2-methoxyphenoxy)-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one has a molecular weight of 337.42 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenoxy)-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one is sourced from PubChem (CID 5162027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).