[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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Related Compounds

[4-[(5-Fluoro-2-thiophen-3-ylphenyl)methyl]phenyl] acetate
CID 69717465
Canagliflozin Impurity 142
CID 177831179
(4,5-Diphenylthiophen-3-yl) acetate
CID 13612549
3-Acetoxy-2-(4-methoxyphenyl)-4,5,6,7-tetrahydrobenzo [b]thiophene
CID 9839387
3-Acetoxy-2-(4'-methoxyphenyl)-5-phenylthiophene
CID 15078744
3-Acetoxy-2-(2'-methylphenyl)-5-phenylthiophene
CID 15078749
[4-(4-Methoxyphenyl)-3-thiatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-5-yl] acetate
CID 15078766
ethyl ((1S)-5-{3-[4-(3-thienyl)phenoxy]propoxy}-2,3-dihydro-1H-inden-1-yl)acetate
CID 16110520
[4,5-Bis(4-methoxyphenyl)thiophen-2-yl] propanoate
CID 22376713
[4-[4-(5-methylthiophen-2-yl)phenyl]phenyl] (E)-but-2-enoate
CID 23432051
[4-[4-(5-ethylthiophen-2-yl)phenyl]phenyl] (E)-but-2-enoate
CID 23432095
[4-[4-(5-heptylthiophen-2-yl)phenyl]phenyl] (E)-but-2-enoate
CID 23432114

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).