methoxymethylbenzene;2-methylthiophene;1-thiophen-2-ylethanone

C19H22O2S2 — CID 158684864

IUPACmethoxymethylbenzene;2-methylthiophene;1-thiophen-2-ylethanone
SMILESCC(=O)c1cccs1.COCc1ccccc1.Cc1cccs1
InChIInChI=1S/C8H10O.C6H6OS.C5H6S/c1-9-7-8-5-3-2-4-6-8;1-5(7)6-3-2-4-8-6;1-5-3-2-4-6-5/h2-6H,7H2,1H3;2-4H,1H3;2-4H,1H3
InChIKeyIFPLAJRISKZOGD-UHFFFAOYSA-N
MW346.52 g/mol
LogP5.84
Rot. Bonds3

About methoxymethylbenzene;2-methylthiophene;1-thiophen-2-ylethanone

methoxymethylbenzene;2-methylthiophene;1-thiophen-2-ylethanone (PubChem CID 158684864) has the molecular formula C19H22O2S2 and a molecular weight of 346.52 g/mol. Its IUPAC name is methoxymethylbenzene;2-methylthiophene;1-thiophen-2-ylethanone.

Molecular Properties

Compound Namemethoxymethylbenzene;2-methylthiophene;1-thiophen-2-ylethanone
PubChem CID158684864
Molecular FormulaC19H22O2S2
Molecular Weight346.52 g/mol
Exact Mass346.11
IUPAC Namemethoxymethylbenzene;2-methylthiophene;1-thiophen-2-ylethanone
SMILESCC(=O)c1cccs1.COCc1ccccc1.Cc1cccs1
InChIInChI=1S/C8H10O.C6H6OS.C5H6S/c1-9-7-8-5-3-2-4-6-8;1-5(7)6-3-2-4-8-6;1-5-3-2-4-6-5/h2-6H,7H2,1H3;2-4H,1H3;2-4H,1H3
InChIKeyIFPLAJRISKZOGD-UHFFFAOYSA-N
XLogP5.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.52
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methoxymethylbenzene;2-methylthiophene;1-thiophen-2-ylethanone?
The IUPAC name of methoxymethylbenzene;2-methylthiophene;1-thiophen-2-ylethanone (CID 158684864) is methoxymethylbenzene;2-methylthiophene;1-thiophen-2-ylethanone.
What is the SMILES notation for methoxymethylbenzene;2-methylthiophene;1-thiophen-2-ylethanone?
The canonical SMILES for methoxymethylbenzene;2-methylthiophene;1-thiophen-2-ylethanone is CC(=O)c1cccs1.COCc1ccccc1.Cc1cccs1.
What is the InChIKey of methoxymethylbenzene;2-methylthiophene;1-thiophen-2-ylethanone?
The InChIKey is IFPLAJRISKZOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O.C6H6OS.C5H6S/c1-9-7-8-5-3-2-4-6-8;1-5(7)6-3-2-4-8-6;1-5-3-2-4-6-5/h2-6H,7H2,1H3;2-4H,1H3;2-4H,1H3.
What are the key properties of methoxymethylbenzene;2-methylthiophene;1-thiophen-2-ylethanone?
methoxymethylbenzene;2-methylthiophene;1-thiophen-2-ylethanone has a molecular weight of 346.52 g/mol, XLogP of 5.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethylbenzene;2-methylthiophene;1-thiophen-2-ylethanone is sourced from PubChem (CID 158684864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).