[2-(9H-fluoren-3-yl)-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate

C22H16O3S — CID 7549928

IUPAC[2-(9H-fluoren-3-yl)-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate
SMILESO=C(/C=C/c1ccsc1)OCC(=O)c1ccc2c(c1)-c1ccccc1C2
InChIInChI=1S/C22H16O3S/c23-21(13-25-22(24)8-5-15-9-10-26-14-15)18-7-6-17-11-16-3-1-2-4-19(16)20(17)12-18/h1-10,12,14H,11,13H2/b8-5+
InChIKeyZGSQTNYZUASBQC-VMPITWQZSA-N
MW360.43 g/mol
LogP4.76
Rot. Bonds5

About [2-(9H-fluoren-3-yl)-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate

[2-(9H-fluoren-3-yl)-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate (PubChem CID 7549928) has the molecular formula C22H16O3S and a molecular weight of 360.43 g/mol. Its IUPAC name is [2-(9H-fluoren-3-yl)-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate.

Molecular Properties

Compound Name[2-(9H-fluoren-3-yl)-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate
PubChem CID7549928
Molecular FormulaC22H16O3S
Molecular Weight360.43 g/mol
Exact Mass360.08
IUPAC Name[2-(9H-fluoren-3-yl)-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate
SMILESO=C(/C=C/c1ccsc1)OCC(=O)c1ccc2c(c1)-c1ccccc1C2
InChIInChI=1S/C22H16O3S/c23-21(13-25-22(24)8-5-15-9-10-26-14-15)18-7-6-17-11-16-3-1-2-4-19(16)20(17)12-18/h1-10,12,14H,11,13H2/b8-5+
InChIKeyZGSQTNYZUASBQC-VMPITWQZSA-N
XLogP4.76
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 54.76
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

[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] (E)-3-thiophen-3-ylprop-2-enoate
CID 8568683
[2-(9H-fluoren-3-yl)-2-oxoethyl] (2E,4E)-hexa-2,4-dienoate
CID 7779040
[2-(9H-fluoren-3-yl)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 7502110
[2-(9H-fluoren-3-yl)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
CID 7983552
[2-(9H-fluoren-3-yl)-2-oxoethyl] 2,6-dichlorobenzoate
CID 7723570
[2-(9H-fluoren-3-yl)-2-oxoethyl] 3-bromobenzoate
CID 7662912
[2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 7489133
[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate
CID 8567321
[2-(9H-fluoren-3-yl)-2-oxoethyl] 2-chloro-4-fluorobenzoate
CID 7825922
[2-(9H-fluoren-3-yl)-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 2445435
[2-(9H-fluoren-3-yl)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate
CID 29155280
2-(2-chlorophenoxy)-1-(9H-fluoren-3-yl)ethanone
CID 2121351

Frequently Asked Questions

What is the IUPAC name of [2-(9H-fluoren-3-yl)-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate?
The IUPAC name of [2-(9H-fluoren-3-yl)-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate (CID 7549928) is [2-(9H-fluoren-3-yl)-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate.
What is the SMILES notation for [2-(9H-fluoren-3-yl)-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate?
The canonical SMILES for [2-(9H-fluoren-3-yl)-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate is O=C(/C=C/c1ccsc1)OCC(=O)c1ccc2c(c1)-c1ccccc1C2.
What is the InChIKey of [2-(9H-fluoren-3-yl)-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate?
The InChIKey is ZGSQTNYZUASBQC-VMPITWQZSA-N. The full InChI is InChI=1S/C22H16O3S/c23-21(13-25-22(24)8-5-15-9-10-26-14-15)18-7-6-17-11-16-3-1-2-4-19(16)20(17)12-18/h1-10,12,14H,11,13H2/b8-5+.
What are the key properties of [2-(9H-fluoren-3-yl)-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate?
[2-(9H-fluoren-3-yl)-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate has a molecular weight of 360.43 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(9H-fluoren-3-yl)-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate is sourced from PubChem (CID 7549928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).