5-(2-phenoxyethoxy)-3-propan-2-ylidene-1H-indol-2-one

C19H19NO3 — CID 155518976

IUPAC5-(2-phenoxyethoxy)-3-propan-2-ylidene-1H-indol-2-one
SMILESCC(C)=C1C(=O)Nc2ccc(OCCOc3ccccc3)cc21
InChIInChI=1S/C19H19NO3/c1-13(2)18-16-12-15(8-9-17(16)20-19(18)21)23-11-10-22-14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3,(H,20,21)
InChIKeyZQXQRVXEPGKSRR-UHFFFAOYSA-N
MW309.36 g/mol
LogP3.89
Rot. Bonds5

About 5-(2-phenoxyethoxy)-3-propan-2-ylidene-1H-indol-2-one

5-(2-phenoxyethoxy)-3-propan-2-ylidene-1H-indol-2-one (PubChem CID 155518976) has the molecular formula C19H19NO3 and a molecular weight of 309.36 g/mol. Its IUPAC name is 5-(2-phenoxyethoxy)-3-propan-2-ylidene-1H-indol-2-one.

Molecular Properties

Compound Name5-(2-phenoxyethoxy)-3-propan-2-ylidene-1H-indol-2-one
PubChem CID155518976
Molecular FormulaC19H19NO3
Molecular Weight309.36 g/mol
Exact Mass309.14
IUPAC Name5-(2-phenoxyethoxy)-3-propan-2-ylidene-1H-indol-2-one
SMILESCC(C)=C1C(=O)Nc2ccc(OCCOc3ccccc3)cc21
InChIInChI=1S/C19H19NO3/c1-13(2)18-16-12-15(8-9-17(16)20-19(18)21)23-11-10-22-14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3,(H,20,21)
InChIKeyZQXQRVXEPGKSRR-UHFFFAOYSA-N
XLogP3.89
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-phenoxyethoxy)-3-propan-2-ylidene-1H-indol-2-one?
The IUPAC name of 5-(2-phenoxyethoxy)-3-propan-2-ylidene-1H-indol-2-one (CID 155518976) is 5-(2-phenoxyethoxy)-3-propan-2-ylidene-1H-indol-2-one.
What is the SMILES notation for 5-(2-phenoxyethoxy)-3-propan-2-ylidene-1H-indol-2-one?
The canonical SMILES for 5-(2-phenoxyethoxy)-3-propan-2-ylidene-1H-indol-2-one is CC(C)=C1C(=O)Nc2ccc(OCCOc3ccccc3)cc21.
What is the InChIKey of 5-(2-phenoxyethoxy)-3-propan-2-ylidene-1H-indol-2-one?
The InChIKey is ZQXQRVXEPGKSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-13(2)18-16-12-15(8-9-17(16)20-19(18)21)23-11-10-22-14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3,(H,20,21).
What are the key properties of 5-(2-phenoxyethoxy)-3-propan-2-ylidene-1H-indol-2-one?
5-(2-phenoxyethoxy)-3-propan-2-ylidene-1H-indol-2-one has a molecular weight of 309.36 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenoxyethoxy)-3-propan-2-ylidene-1H-indol-2-one is sourced from PubChem (CID 155518976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).