(4-methoxy-2,3-dimethylphenyl)-thiophen-2-ylmethanone

C14H14O2S — CID 57091683

IUPAC(4-methoxy-2,3-dimethylphenyl)-thiophen-2-ylmethanone
SMILESCOc1ccc(C(=O)c2cccs2)c(C)c1C
InChIInChI=1S/C14H14O2S/c1-9-10(2)12(16-3)7-6-11(9)14(15)13-5-4-8-17-13/h4-8H,1-3H3
InChIKeyGJCGWCJCGNEZSF-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.60
Rot. Bonds3

About (4-methoxy-2,3-dimethylphenyl)-thiophen-2-ylmethanone

(4-methoxy-2,3-dimethylphenyl)-thiophen-2-ylmethanone (PubChem CID 57091683) has the molecular formula C14H14O2S and a molecular weight of 246.33 g/mol. Its IUPAC name is (4-methoxy-2,3-dimethylphenyl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(4-methoxy-2,3-dimethylphenyl)-thiophen-2-ylmethanone
PubChem CID57091683
Molecular FormulaC14H14O2S
Molecular Weight246.33 g/mol
Exact Mass246.07
IUPAC Name(4-methoxy-2,3-dimethylphenyl)-thiophen-2-ylmethanone
SMILESCOc1ccc(C(=O)c2cccs2)c(C)c1C
InChIInChI=1S/C14H14O2S/c1-9-10(2)12(16-3)7-6-11(9)14(15)13-5-4-8-17-13/h4-8H,1-3H3
InChIKeyGJCGWCJCGNEZSF-UHFFFAOYSA-N
XLogP3.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methoxy-2,3-dimethylphenyl)-thiophen-2-ylmethanone?
The IUPAC name of (4-methoxy-2,3-dimethylphenyl)-thiophen-2-ylmethanone (CID 57091683) is (4-methoxy-2,3-dimethylphenyl)-thiophen-2-ylmethanone.
What is the SMILES notation for (4-methoxy-2,3-dimethylphenyl)-thiophen-2-ylmethanone?
The canonical SMILES for (4-methoxy-2,3-dimethylphenyl)-thiophen-2-ylmethanone is COc1ccc(C(=O)c2cccs2)c(C)c1C.
What is the InChIKey of (4-methoxy-2,3-dimethylphenyl)-thiophen-2-ylmethanone?
The InChIKey is GJCGWCJCGNEZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2S/c1-9-10(2)12(16-3)7-6-11(9)14(15)13-5-4-8-17-13/h4-8H,1-3H3.
What are the key properties of (4-methoxy-2,3-dimethylphenyl)-thiophen-2-ylmethanone?
(4-methoxy-2,3-dimethylphenyl)-thiophen-2-ylmethanone has a molecular weight of 246.33 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-2,3-dimethylphenyl)-thiophen-2-ylmethanone is sourced from PubChem (CID 57091683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).