thiophen-3-yl-(2,3,4-trimethoxyphenyl)methanone

C14H14O4S — CID 43588954

IUPACthiophen-3-yl-(2,3,4-trimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccsc2)c(OC)c1OC
InChIInChI=1S/C14H14O4S/c1-16-11-5-4-10(13(17-2)14(11)18-3)12(15)9-6-7-19-8-9/h4-8H,1-3H3
InChIKeyVRTJFHRNGWIPHN-UHFFFAOYSA-N
MW278.33 g/mol
LogP3.00
Rot. Bonds5

About thiophen-3-yl-(2,3,4-trimethoxyphenyl)methanone

thiophen-3-yl-(2,3,4-trimethoxyphenyl)methanone (PubChem CID 43588954) has the molecular formula C14H14O4S and a molecular weight of 278.33 g/mol. Its IUPAC name is thiophen-3-yl-(2,3,4-trimethoxyphenyl)methanone.

Molecular Properties

Compound Namethiophen-3-yl-(2,3,4-trimethoxyphenyl)methanone
PubChem CID43588954
Molecular FormulaC14H14O4S
Molecular Weight278.33 g/mol
Exact Mass278.06
IUPAC Namethiophen-3-yl-(2,3,4-trimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccsc2)c(OC)c1OC
InChIInChI=1S/C14H14O4S/c1-16-11-5-4-10(13(17-2)14(11)18-3)12(15)9-6-7-19-8-9/h4-8H,1-3H3
InChIKeyVRTJFHRNGWIPHN-UHFFFAOYSA-N
XLogP3.00
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of thiophen-3-yl-(2,3,4-trimethoxyphenyl)methanone?
The IUPAC name of thiophen-3-yl-(2,3,4-trimethoxyphenyl)methanone (CID 43588954) is thiophen-3-yl-(2,3,4-trimethoxyphenyl)methanone.
What is the SMILES notation for thiophen-3-yl-(2,3,4-trimethoxyphenyl)methanone?
The canonical SMILES for thiophen-3-yl-(2,3,4-trimethoxyphenyl)methanone is COc1ccc(C(=O)c2ccsc2)c(OC)c1OC.
What is the InChIKey of thiophen-3-yl-(2,3,4-trimethoxyphenyl)methanone?
The InChIKey is VRTJFHRNGWIPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4S/c1-16-11-5-4-10(13(17-2)14(11)18-3)12(15)9-6-7-19-8-9/h4-8H,1-3H3.
What are the key properties of thiophen-3-yl-(2,3,4-trimethoxyphenyl)methanone?
thiophen-3-yl-(2,3,4-trimethoxyphenyl)methanone has a molecular weight of 278.33 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for thiophen-3-yl-(2,3,4-trimethoxyphenyl)methanone is sourced from PubChem (CID 43588954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).