[2-(4-methoxyphenyl)-4H-indeno[1,2-b]thiophen-3-yl] acetate

C20H16O3S — CID 15078764

IUPAC[2-(4-methoxyphenyl)-4H-indeno[1,2-b]thiophen-3-yl] acetate
SMILESCOc1ccc(-c2sc3c(c2OC(C)=O)Cc2ccccc2-3)cc1
InChIInChI=1S/C20H16O3S/c1-12(21)23-18-17-11-14-5-3-4-6-16(14)20(17)24-19(18)13-7-9-15(22-2)10-8-13/h3-10H,11H2,1-2H3
InChIKeyHZLZSDKRCXLAQX-UHFFFAOYSA-N
MW336.41 g/mol
LogP4.92
Rot. Bonds3

About [2-(4-methoxyphenyl)-4H-indeno[1,2-b]thiophen-3-yl] acetate

[2-(4-methoxyphenyl)-4H-indeno[1,2-b]thiophen-3-yl] acetate (PubChem CID 15078764) has the molecular formula C20H16O3S and a molecular weight of 336.41 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-4H-indeno[1,2-b]thiophen-3-yl] acetate.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-4H-indeno[1,2-b]thiophen-3-yl] acetate
PubChem CID15078764
Molecular FormulaC20H16O3S
Molecular Weight336.41 g/mol
Exact Mass336.08
IUPAC Name[2-(4-methoxyphenyl)-4H-indeno[1,2-b]thiophen-3-yl] acetate
SMILESCOc1ccc(-c2sc3c(c2OC(C)=O)Cc2ccccc2-3)cc1
InChIInChI=1S/C20H16O3S/c1-12(21)23-18-17-11-14-5-3-4-6-16(14)20(17)24-19(18)13-7-9-15(22-2)10-8-13/h3-10H,11H2,1-2H3
InChIKeyHZLZSDKRCXLAQX-UHFFFAOYSA-N
XLogP4.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)-4H-indeno[1,2-b]thiophen-3-yl] acetate?
The IUPAC name of [2-(4-methoxyphenyl)-4H-indeno[1,2-b]thiophen-3-yl] acetate (CID 15078764) is [2-(4-methoxyphenyl)-4H-indeno[1,2-b]thiophen-3-yl] acetate.
What is the SMILES notation for [2-(4-methoxyphenyl)-4H-indeno[1,2-b]thiophen-3-yl] acetate?
The canonical SMILES for [2-(4-methoxyphenyl)-4H-indeno[1,2-b]thiophen-3-yl] acetate is COc1ccc(-c2sc3c(c2OC(C)=O)Cc2ccccc2-3)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)-4H-indeno[1,2-b]thiophen-3-yl] acetate?
The InChIKey is HZLZSDKRCXLAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O3S/c1-12(21)23-18-17-11-14-5-3-4-6-16(14)20(17)24-19(18)13-7-9-15(22-2)10-8-13/h3-10H,11H2,1-2H3.
What are the key properties of [2-(4-methoxyphenyl)-4H-indeno[1,2-b]thiophen-3-yl] acetate?
[2-(4-methoxyphenyl)-4H-indeno[1,2-b]thiophen-3-yl] acetate has a molecular weight of 336.41 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)-4H-indeno[1,2-b]thiophen-3-yl] acetate is sourced from PubChem (CID 15078764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).